變更

              
    

          
          
        
        

            
f
1
{
f
1
{
            
2
  "author": null,
2
  "author": null,
            
3
  "author_email": null,
3
  "author_email": null,
            
4
  "creator_user_id": "26e9b37a-a639-46f2-9a41-f9295eef2db8",
4
  "creator_user_id": "26e9b37a-a639-46f2-9a41-f9295eef2db8",
            
5
  "extras": [],
5
  "extras": [],
            
6
  "groups": [],
6
  "groups": [],
            
7
  "id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
7
  "id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
8
  "isopen": false,
8
  "isopen": false,
            
9
  "license_id": null,
9
  "license_id": null,
            
10
  "license_title": null,
10
  "license_title": null,
            
11
  "maintainer": null,
11
  "maintainer": null,
            
12
  "maintainer_email": null,
12
  "maintainer_email": null,
            
13
  "metadata_created": "2023-02-23T03:38:42.147077",
13
  "metadata_created": "2023-02-23T03:38:42.147077",
            
n
14
  "metadata_modified": "2023-02-23T03:38:42.147083",
n
14
  "metadata_modified": "2023-02-23T03:38:42.964052",
            
15
  "name": 
15
  "name": 
            
16
water-diffusion_cbp_irppy2acac_vacuum-deposited-thinfilm_replicate-1",
16
water-diffusion_cbp_irppy2acac_vacuum-deposited-thinfilm_replicate-1",
            
n
17
  "notes": null,
n
17
  "notes": "20 water molecules were inserted at random positions 
            
18
within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed 
            
19
to diffuse (replicate 1 of 3).",
            
18
  "num_resources": 0,
20
  "num_resources": 98,
            
19
  "num_tags": 0,
21
  "num_tags": 12,
            
20
  "organization": {
22
  "organization": {
            
21
    "approval_status": "approved",
23
    "approval_status": "approved",
            
22
    "created": "2018-08-22T23:34:31.662568",
24
    "created": "2018-08-22T23:34:31.662568",
            
23
    "description": "The group focuses on understanding and predicting 
25
    "description": "The group focuses on understanding and predicting 
            
24
the macroscopic (experimentally observable) properties of biomolecular 
26
the macroscopic (experimentally observable) properties of biomolecular 
            
25
systems such as proteins, nucleic acids and lipid aggregates, in terms 
27
systems such as proteins, nucleic acids and lipid aggregates, in terms 
            
26
of the interactions between atoms. In particular, our work 
28
of the interactions between atoms. In particular, our work 
            
27
concentrates on the development of tools (i.e. simulation software, 
29
concentrates on the development of tools (i.e. simulation software, 
            
28
atomic force fields, theoretical models and experimental techniques) 
30
atomic force fields, theoretical models and experimental techniques) 
            
29
that can be used to understand and predict the physico-chemical basis 
31
that can be used to understand and predict the physico-chemical basis 
            
30
of interactions and dynamic processes within biomolecular systems. 
32
of interactions and dynamic processes within biomolecular systems. 
            
31
Specific areas of interest include structure prediction, protein and 
33
Specific areas of interest include structure prediction, protein and 
            
32
peptide folding, the self-assembly of protein/lipid complexes and the 
34
peptide folding, the self-assembly of protein/lipid complexes and the 
            
33
calculation of thermodynamic properties such as ligand binding 
35
calculation of thermodynamic properties such as ligand binding 
            
34
affinities.\r\n\r\n(Image created by Dr D. Poger)",
36
affinities.\r\n\r\n(Image created by Dr D. Poger)",
            
35
    "id": "13d88f1a-558b-460e-ad12-400abee89835",
37
    "id": "13d88f1a-558b-460e-ad12-400abee89835",
            
36
    "image_url": "2022-01-21-061851.980724mdgrouptoys.jpg",
38
    "image_url": "2022-01-21-061851.980724mdgrouptoys.jpg",
            
37
    "is_organization": true,
39
    "is_organization": true,
            
38
    "name": "mduq",
40
    "name": "mduq",
            
39
    "state": "active",
41
    "state": "active",
            
40
    "title": "Molecular Dynamics Group UQ",
42
    "title": "Molecular Dynamics Group UQ",
            
41
    "type": "organization"
43
    "type": "organization"
            
42
  },
44
  },
            
43
  "owner_org": "13d88f1a-558b-460e-ad12-400abee89835",
45
  "owner_org": "13d88f1a-558b-460e-ad12-400abee89835",
            
44
  "private": false,
46
  "private": false,
            
45
  "relationships_as_object": [],
47
  "relationships_as_object": [],
            
46
  "relationships_as_subject": [],
48
  "relationships_as_subject": [],
            
n
47
  "resources": [],
n
49
  "resources": [
            
50
    {
            
51
      "cache_last_updated": null,
            
52
      "cache_url": null,
            
53
      "created": "2023-02-23T03:38:43.017545",
            
54
      "description": null,
            
55
      "format": "mdp",
            
56
      "hash": "",
            
57
      "id": "06720c0d-e51c-4147-93b9-dc88f6916455",
            
58
      "last_modified": null,
            
59
      "metadata_modified": "2023-02-23T03:38:42.967452",
            
60
      "mimetype": null,
            
61
      "mimetype_inner": null,
            
62
      "name": 
            
63
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00001.mdp",
            
64
      "owner_org": "mduq",
            
65
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
66
      "position": 0,
            
67
      "resource_type": "control",
            
68
      "run": 1,
            
69
      "size": 1740,
            
70
      "state": "active",
            
71
      "url": 
            
72
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00001.mdp",
            
73
      "url_type": null
            
74
    },
            
75
    {
            
76
      "cache_last_updated": null,
            
77
      "cache_url": null,
            
78
      "created": "2023-02-23T03:38:43.017548",
            
79
      "description": null,
            
80
      "format": "itp",
            
81
      "hash": "",
            
82
      "id": "e5a68345-5d2b-4605-8db0-d729f5b6f2d2",
            
83
      "last_modified": null,
            
84
      "metadata_modified": "2023-02-23T03:38:42.967597",
            
85
      "mimetype": null,
            
86
      "mimetype_inner": null,
            
87
      "name": "GRM_restr_nobonds_20x34x1periods.itp",
            
88
      "owner_org": "mduq",
            
89
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
90
      "position": 1,
            
91
      "resource_type": "forcefield-files",
            
92
      "run": 1,
            
93
      "size": 898320,
            
94
      "state": "active",
            
95
      "url": 
            
96
AxxaQ1Q0a4pcWehChb_cZr-9bhV51c0/GRM_restr_nobonds_20x34x1periods.itp",
            
97
      "url_type": null
            
98
    },
            
99
    {
            
100
      "cache_last_updated": null,
            
101
      "cache_url": null,
            
102
      "created": "2023-02-23T03:38:43.017551",
            
103
      "description": null,
            
104
      "format": "itp",
            
105
      "hash": "",
            
106
      "id": "8e965488-691f-4721-afc2-ce976f7eae21",
            
107
      "last_modified": null,
            
108
      "metadata_modified": "2023-02-23T03:38:42.967717",
            
109
      "mimetype": null,
            
110
      "mimetype_inner": null,
            
111
      "name": "IPAR_oldcharges_heavyH.itp",
            
112
      "owner_org": "mduq",
            
113
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
114
      "position": 2,
            
115
      "resource_type": "forcefield-files",
            
116
      "run": 1,
            
117
      "size": 18247,
            
118
      "state": "active",
            
119
      "url": 
            
120
ERK2dvNf_xQfnLYkiP1xDojtIxRNj_7HRlt33-YcA/IPAR_oldcharges_heavyH.itp",
            
121
      "url_type": null
            
122
    },
            
123
    {
            
124
      "cache_last_updated": null,
            
125
      "cache_url": null,
            
126
      "created": "2023-02-23T03:38:43.017552",
            
127
      "description": null,
            
128
      "format": "itp",
            
129
      "hash": "",
            
130
      "id": "aa2292b6-8fbe-4476-9db4-5f6254fd632d",
            
131
      "last_modified": null,
            
132
      "metadata_modified": "2023-02-23T03:38:42.967832",
            
133
      "mimetype": null,
            
134
      "mimetype_inner": null,
            
135
      "name": "CBP_heavyH.itp",
            
136
      "owner_org": "mduq",
            
137
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
138
      "position": 3,
            
139
      "resource_type": "forcefield-files",
            
140
      "run": 1,
            
141
      "size": 22450,
            
142
      "state": "active",
            
143
      "url": 
            
144
eld-files/O9d4UFd7tyK_unCctEgc6i8wbqSKQnhjVs9aBGPGqHk/CBP_heavyH.itp",
            
145
      "url_type": null
            
146
    },
            
147
    {
            
148
      "cache_last_updated": null,
            
149
      "cache_url": null,
            
150
      "created": "2023-02-23T03:38:43.017554",
            
151
      "description": null,
            
152
      "format": "itp",
            
153
      "hash": "",
            
154
      "id": "c05eea21-4c2a-414c-8d7c-0113050b2b1c",
            
155
      "last_modified": null,
            
156
      "metadata_modified": "2023-02-23T03:38:42.967946",
            
157
      "mimetype": null,
            
158
      "mimetype_inner": null,
            
159
      "name": "IPAS_oldcharges_heavyH.itp",
            
160
      "owner_org": "mduq",
            
161
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
162
      "position": 4,
            
163
      "resource_type": "forcefield-files",
            
164
      "run": 1,
            
165
      "size": 18247,
            
166
      "state": "active",
            
167
      "url": 
            
168
-2egQQFDwAAa7wskO3yuMorTJosgyZfEgQ2QEPsLU/IPAS_oldcharges_heavyH.itp",
            
169
      "url_type": null
            
170
    },
            
171
    {
            
172
      "cache_last_updated": null,
            
173
      "cache_url": null,
            
174
      "created": "2023-02-23T03:38:43.017556",
            
175
      "description": null,
            
176
      "format": "tpr",
            
177
      "hash": "",
            
178
      "id": "1daa9ac4-5e81-4242-81d6-91da0eac9179",
            
179
      "last_modified": null,
            
180
      "metadata_modified": "2023-02-23T03:38:42.968058",
            
181
      "mimetype": null,
            
182
      "mimetype_inner": null,
            
183
      "name": 
            
184
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00001.tpr",
            
185
      "owner_org": "mduq",
            
186
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
187
      "position": 5,
            
188
      "resource_type": "forcefield-files",
            
189
      "run": 1,
            
190
      "size": 2731680,
            
191
      "state": "active",
            
192
      "url": 
            
193
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00001.tpr",
            
194
      "url_type": null
            
195
    },
            
196
    {
            
197
      "cache_last_updated": null,
            
198
      "cache_url": null,
            
199
      "created": "2023-02-23T03:38:43.017558",
            
200
      "description": null,
            
201
      "format": "itp",
            
202
      "hash": "",
            
203
      "id": "945ebfda-efe0-4ed8-9ba2-d477a0449213",
            
204
      "last_modified": null,
            
205
      "metadata_modified": "2023-02-23T03:38:42.968171",
            
206
      "mimetype": null,
            
207
      "mimetype_inner": null,
            
208
      "name": "spc.itp",
            
209
      "owner_org": "mduq",
            
210
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
211
      "position": 6,
            
212
      "resource_type": "forcefield-files",
            
213
      "run": 1,
            
214
      "size": 815,
            
215
      "state": "active",
            
216
      "url": 
            
217
forcefield-files/IsfhmrOASt_2eakBQkCH_L0utrVV6oon4W8bzn9lJnw/spc.itp",
            
218
      "url_type": null
            
219
    },
            
220
    {
            
221
      "cache_last_updated": null,
            
222
      "cache_url": null,
            
223
      "created": "2023-02-23T03:38:43.017560",
            
224
      "description": null,
            
225
      "format": "gro",
            
226
      "hash": "",
            
227
      "id": "c24dd370-9b80-4789-bb87-b801ed73887f",
            
228
      "last_modified": null,
            
229
      "metadata_modified": "2023-02-23T03:38:42.968282",
            
230
      "mimetype": null,
            
231
      "mimetype_inner": null,
            
232
      "name": 
            
233
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00001.gro",
            
234
      "owner_org": "mduq",
            
235
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
236
      "position": 7,
            
237
      "resource_type": "input-coordinates",
            
238
      "run": 1,
            
239
      "size": 2889404,
            
240
      "state": "active",
            
241
      "url": 
            
242
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00001.gro",
            
243
      "url_type": null
            
244
    },
            
245
    {
            
246
      "cache_last_updated": null,
            
247
      "cache_url": null,
            
248
      "created": "2023-02-23T03:38:43.017561",
            
249
      "description": null,
            
250
      "format": "log",
            
251
      "hash": "",
            
252
      "id": "fa5a1801-ecc6-4b93-8ecb-307a0e2be906",
            
253
      "last_modified": null,
            
254
      "metadata_modified": "2023-02-23T03:38:42.968409",
            
255
      "mimetype": null,
            
256
      "mimetype_inner": null,
            
257
      "name": 
            
258
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00001.log",
            
259
      "owner_org": "mduq",
            
260
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
261
      "position": 8,
            
262
      "resource_type": "log",
            
263
      "run": 1,
            
264
      "size": 29117114,
            
265
      "state": "active",
            
266
      "url": 
            
267
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00001.log",
            
268
      "url_type": null
            
269
    },
            
270
    {
            
271
      "cache_last_updated": null,
            
272
      "cache_url": null,
            
273
      "created": "2023-02-23T03:38:43.017563",
            
274
      "description": null,
            
275
      "format": "edr",
            
276
      "hash": "",
            
277
      "id": "58a6f9fc-ffec-46a2-a661-6bd567896a90",
            
278
      "last_modified": null,
            
279
      "metadata_modified": "2023-02-23T03:38:42.968522",
            
280
      "mimetype": null,
            
281
      "mimetype_inner": null,
            
282
      "name": 
            
283
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00001.edr",
            
284
      "owner_org": "mduq",
            
285
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
286
      "position": 9,
            
287
      "resource_type": "energy",
            
288
      "run": 1,
            
289
      "size": 24403460,
            
290
      "state": "active",
            
291
      "url": 
            
292
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00001.edr",
            
293
      "url_type": null
            
294
    },
            
295
    {
            
296
      "cache_last_updated": null,
            
297
      "cache_url": null,
            
298
      "created": "2023-02-23T03:38:43.017565",
            
299
      "description": null,
            
300
      "format": "top",
            
301
      "hash": "",
            
302
      "id": "854b5065-b7af-4ede-97f2-d7581e9ba8a9",
            
303
      "last_modified": null,
            
304
      "metadata_modified": "2023-02-23T03:38:42.968632",
            
305
      "mimetype": null,
            
306
      "mimetype_inner": null,
            
307
      "name": 
            
308
on_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_topology.top",
            
309
      "owner_org": "mduq",
            
310
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
311
      "position": 10,
            
312
      "resource_type": "topology",
            
313
      "run": 1,
            
314
      "size": 1135,
            
315
      "state": "active",
            
316
      "url": 
            
317
on_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_topology.top",
            
318
      "url_type": null
            
319
    },
            
320
    {
            
321
      "cache_last_updated": null,
            
322
      "cache_url": null,
            
323
      "created": "2023-02-23T03:38:43.017566",
            
324
      "description": null,
            
325
      "format": "gro",
            
326
      "hash": "",
            
327
      "id": "499e888f-51b0-4d0f-b616-0f18c904e298",
            
328
      "last_modified": null,
            
329
      "metadata_modified": "2023-02-23T03:38:42.968743",
            
330
      "mimetype": null,
            
331
      "mimetype_inner": null,
            
332
      "name": 
            
333
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00001.gro",
            
334
      "owner_org": "mduq",
            
335
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
336
      "position": 11,
            
337
      "resource_type": "final-coordinates",
            
338
      "run": 1,
            
339
      "size": 4430396,
            
340
      "state": "active",
            
341
      "url": 
            
342
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00001.gro",
            
343
      "url_type": null
            
344
    },
            
345
    {
            
346
      "cache_last_updated": null,
            
347
      "cache_url": null,
            
348
      "created": "2023-02-23T03:38:43.017568",
            
349
      "description": null,
            
350
      "format": "gro",
            
351
      "hash": "",
            
352
      "id": "32f82fc5-aaa6-4bd7-8a70-9b6c08ebf37e",
            
353
      "last_modified": null,
            
354
      "metadata_modified": "2023-02-23T03:38:42.968854",
            
355
      "mimetype": null,
            
356
      "mimetype_inner": null,
            
357
      "name": 
            
358
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00001.gro",
            
359
      "owner_org": "mduq",
            
360
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
361
      "position": 12,
            
362
      "resource_type": "restraints",
            
363
      "run": 1,
            
364
      "size": 2889404,
            
365
      "state": "active",
            
366
      "url": 
            
367
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00001.gro",
            
368
      "url_type": null
            
369
    },
            
370
    {
            
371
      "cache_last_updated": null,
            
372
      "cache_url": null,
            
373
      "created": "2023-02-23T03:38:43.017569",
            
374
      "description": null,
            
375
      "format": "mdp",
            
376
      "hash": "",
            
377
      "id": "a4063032-3c2c-4aab-96fe-c5afcc448b88",
            
378
      "last_modified": null,
            
379
      "metadata_modified": "2023-02-23T03:38:42.968964",
            
380
      "mimetype": null,
            
381
      "mimetype_inner": null,
            
382
      "name": 
            
383
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00002.mdp",
            
384
      "owner_org": "mduq",
            
385
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
386
      "position": 13,
            
387
      "resource_type": "control",
            
388
      "run": 2,
            
389
      "size": 1740,
            
390
      "state": "active",
            
391
      "url": 
            
392
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00002.mdp",
            
393
      "url_type": null
            
394
    },
            
395
    {
            
396
      "cache_last_updated": null,
            
397
      "cache_url": null,
            
398
      "created": "2023-02-23T03:38:43.017571",
            
399
      "description": null,
            
400
      "format": "tpr",
            
401
      "hash": "",
            
402
      "id": "a30029da-41aa-4ee9-a687-229ea9f37ab8",
            
403
      "last_modified": null,
            
404
      "metadata_modified": "2023-02-23T03:38:42.969072",
            
405
      "mimetype": null,
            
406
      "mimetype_inner": null,
            
407
      "name": 
            
408
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00002.tpr",
            
409
      "owner_org": "mduq",
            
410
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
411
      "position": 14,
            
412
      "resource_type": "forcefield-files",
            
413
      "run": 2,
            
414
      "size": 2731680,
            
415
      "state": "active",
            
416
      "url": 
            
417
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00002.tpr",
            
418
      "url_type": null
            
419
    },
            
420
    {
            
421
      "cache_last_updated": null,
            
422
      "cache_url": null,
            
423
      "created": "2023-02-23T03:38:43.017573",
            
424
      "description": null,
            
425
      "format": "gro",
            
426
      "hash": "",
            
427
      "id": "b54fb71f-65f7-48ae-8297-cce531ae5ac1",
            
428
      "last_modified": null,
            
429
      "metadata_modified": "2023-02-23T03:38:42.969181",
            
430
      "mimetype": null,
            
431
      "mimetype_inner": null,
            
432
      "name": 
            
433
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00002.gro",
            
434
      "owner_org": "mduq",
            
435
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
436
      "position": 15,
            
437
      "resource_type": "input-coordinates",
            
438
      "run": 2,
            
439
      "size": 4430396,
            
440
      "state": "active",
            
441
      "url": 
            
442
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00002.gro",
            
443
      "url_type": null
            
444
    },
            
445
    {
            
446
      "cache_last_updated": null,
            
447
      "cache_url": null,
            
448
      "created": "2023-02-23T03:38:43.017574",
            
449
      "description": null,
            
450
      "format": "log",
            
451
      "hash": "",
            
452
      "id": "738debb2-ad62-4133-b79e-9b76976dbdc6",
            
453
      "last_modified": null,
            
454
      "metadata_modified": "2023-02-23T03:38:42.969290",
            
455
      "mimetype": null,
            
456
      "mimetype_inner": null,
            
457
      "name": 
            
458
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00002.log",
            
459
      "owner_org": "mduq",
            
460
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
461
      "position": 16,
            
462
      "resource_type": "log",
            
463
      "run": 2,
            
464
      "size": 29117112,
            
465
      "state": "active",
            
466
      "url": 
            
467
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00002.log",
            
468
      "url_type": null
            
469
    },
            
470
    {
            
471
      "cache_last_updated": null,
            
472
      "cache_url": null,
            
473
      "created": "2023-02-23T03:38:43.017576",
            
474
      "description": null,
            
475
      "format": "edr",
            
476
      "hash": "",
            
477
      "id": "fd055819-c2c5-453a-a960-3dd54c7373f8",
            
478
      "last_modified": null,
            
479
      "metadata_modified": "2023-02-23T03:38:42.969399",
            
480
      "mimetype": null,
            
481
      "mimetype_inner": null,
            
482
      "name": 
            
483
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00002.edr",
            
484
      "owner_org": "mduq",
            
485
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
486
      "position": 17,
            
487
      "resource_type": "energy",
            
488
      "run": 2,
            
489
      "size": 24403460,
            
490
      "state": "active",
            
491
      "url": 
            
492
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00002.edr",
            
493
      "url_type": null
            
494
    },
            
495
    {
            
496
      "cache_last_updated": null,
            
497
      "cache_url": null,
            
498
      "created": "2023-02-23T03:38:43.017577",
            
499
      "description": null,
            
500
      "format": "gro",
            
501
      "hash": "",
            
502
      "id": "f2f22723-d7c7-47cd-b0df-0231fcfe5364",
            
503
      "last_modified": null,
            
504
      "metadata_modified": "2023-02-23T03:38:42.969517",
            
505
      "mimetype": null,
            
506
      "mimetype_inner": null,
            
507
      "name": 
            
508
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00002.gro",
            
509
      "owner_org": "mduq",
            
510
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
511
      "position": 18,
            
512
      "resource_type": "final-coordinates",
            
513
      "run": 2,
            
514
      "size": 4430396,
            
515
      "state": "active",
            
516
      "url": 
            
517
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00002.gro",
            
518
      "url_type": null
            
519
    },
            
520
    {
            
521
      "cache_last_updated": null,
            
522
      "cache_url": null,
            
523
      "created": "2023-02-23T03:38:43.017579",
            
524
      "description": null,
            
525
      "format": "gro",
            
526
      "hash": "",
            
527
      "id": "d5e39453-3be1-4ce9-9142-24d5bdb06c25",
            
528
      "last_modified": null,
            
529
      "metadata_modified": "2023-02-23T03:38:42.969627",
            
530
      "mimetype": null,
            
531
      "mimetype_inner": null,
            
532
      "name": 
            
533
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00002.gro",
            
534
      "owner_org": "mduq",
            
535
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
536
      "position": 19,
            
537
      "resource_type": "restraints",
            
538
      "run": 2,
            
539
      "size": 4430396,
            
540
      "state": "active",
            
541
      "url": 
            
542
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00002.gro",
            
543
      "url_type": null
            
544
    },
            
545
    {
            
546
      "cache_last_updated": null,
            
547
      "cache_url": null,
            
548
      "created": "2023-02-23T03:38:43.017581",
            
549
      "description": null,
            
550
      "format": "mdp",
            
551
      "hash": "",
            
552
      "id": "f6cecef7-1a28-4245-ba57-a02abca4290c",
            
553
      "last_modified": null,
            
554
      "metadata_modified": "2023-02-23T03:38:42.969738",
            
555
      "mimetype": null,
            
556
      "mimetype_inner": null,
            
557
      "name": 
            
558
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00003.mdp",
            
559
      "owner_org": "mduq",
            
560
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
561
      "position": 20,
            
562
      "resource_type": "control",
            
563
      "run": 3,
            
564
      "size": 1740,
            
565
      "state": "active",
            
566
      "url": 
            
567
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00003.mdp",
            
568
      "url_type": null
            
569
    },
            
570
    {
            
571
      "cache_last_updated": null,
            
572
      "cache_url": null,
            
573
      "created": "2023-02-23T03:38:43.017582",
            
574
      "description": null,
            
575
      "format": "tpr",
            
576
      "hash": "",
            
577
      "id": "a278534d-0df1-496e-9a5b-4cc7087cc735",
            
578
      "last_modified": null,
            
579
      "metadata_modified": "2023-02-23T03:38:42.969848",
            
580
      "mimetype": null,
            
581
      "mimetype_inner": null,
            
582
      "name": 
            
583
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00003.tpr",
            
584
      "owner_org": "mduq",
            
585
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
586
      "position": 21,
            
587
      "resource_type": "forcefield-files",
            
588
      "run": 3,
            
589
      "size": 2731680,
            
590
      "state": "active",
            
591
      "url": 
            
592
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00003.tpr",
            
593
      "url_type": null
            
594
    },
            
595
    {
            
596
      "cache_last_updated": null,
            
597
      "cache_url": null,
            
598
      "created": "2023-02-23T03:38:43.017584",
            
599
      "description": null,
            
600
      "format": "gro",
            
601
      "hash": "",
            
602
      "id": "716dc343-76ed-4265-ab14-054c96d4b47b",
            
603
      "last_modified": null,
            
604
      "metadata_modified": "2023-02-23T03:38:42.969958",
            
605
      "mimetype": null,
            
606
      "mimetype_inner": null,
            
607
      "name": 
            
608
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00003.gro",
            
609
      "owner_org": "mduq",
            
610
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
611
      "position": 22,
            
612
      "resource_type": "input-coordinates",
            
613
      "run": 3,
            
614
      "size": 4430396,
            
615
      "state": "active",
            
616
      "url": 
            
617
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00003.gro",
            
618
      "url_type": null
            
619
    },
            
620
    {
            
621
      "cache_last_updated": null,
            
622
      "cache_url": null,
            
623
      "created": "2023-02-23T03:38:43.017586",
            
624
      "description": null,
            
625
      "format": "log",
            
626
      "hash": "",
            
627
      "id": "c9517ff4-87e8-4d8e-b60e-5f6eb7ad9dc6",
            
628
      "last_modified": null,
            
629
      "metadata_modified": "2023-02-23T03:38:42.970068",
            
630
      "mimetype": null,
            
631
      "mimetype_inner": null,
            
632
      "name": 
            
633
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00003.log",
            
634
      "owner_org": "mduq",
            
635
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
636
      "position": 23,
            
637
      "resource_type": "log",
            
638
      "run": 3,
            
639
      "size": 29117050,
            
640
      "state": "active",
            
641
      "url": 
            
642
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00003.log",
            
643
      "url_type": null
            
644
    },
            
645
    {
            
646
      "cache_last_updated": null,
            
647
      "cache_url": null,
            
648
      "created": "2023-02-23T03:38:43.017587",
            
649
      "description": null,
            
650
      "format": "edr",
            
651
      "hash": "",
            
652
      "id": "991de3fa-089d-4cf8-88ba-1873443bb1ff",
            
653
      "last_modified": null,
            
654
      "metadata_modified": "2023-02-23T03:38:42.970177",
            
655
      "mimetype": null,
            
656
      "mimetype_inner": null,
            
657
      "name": 
            
658
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00003.edr",
            
659
      "owner_org": "mduq",
            
660
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
661
      "position": 24,
            
662
      "resource_type": "energy",
            
663
      "run": 3,
            
664
      "size": 24403460,
            
665
      "state": "active",
            
666
      "url": 
            
667
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00003.edr",
            
668
      "url_type": null
            
669
    },
            
670
    {
            
671
      "cache_last_updated": null,
            
672
      "cache_url": null,
            
673
      "created": "2023-02-23T03:38:43.017589",
            
674
      "description": null,
            
675
      "format": "gro",
            
676
      "hash": "",
            
677
      "id": "550ae869-f61d-40a2-970f-4ea95d0d0bb0",
            
678
      "last_modified": null,
            
679
      "metadata_modified": "2023-02-23T03:38:42.970287",
            
680
      "mimetype": null,
            
681
      "mimetype_inner": null,
            
682
      "name": 
            
683
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00003.gro",
            
684
      "owner_org": "mduq",
            
685
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
686
      "position": 25,
            
687
      "resource_type": "final-coordinates",
            
688
      "run": 3,
            
689
      "size": 4430396,
            
690
      "state": "active",
            
691
      "url": 
            
692
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00003.gro",
            
693
      "url_type": null
            
694
    },
            
695
    {
            
696
      "cache_last_updated": null,
            
697
      "cache_url": null,
            
698
      "created": "2023-02-23T03:38:43.017590",
            
699
      "description": null,
            
700
      "format": "gro",
            
701
      "hash": "",
            
702
      "id": "ffe90a75-e36f-477f-be98-f905fd52e3f7",
            
703
      "last_modified": null,
            
704
      "metadata_modified": "2023-02-23T03:38:42.970396",
            
705
      "mimetype": null,
            
706
      "mimetype_inner": null,
            
707
      "name": 
            
708
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00003.gro",
            
709
      "owner_org": "mduq",
            
710
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
711
      "position": 26,
            
712
      "resource_type": "restraints",
            
713
      "run": 3,
            
714
      "size": 4430396,
            
715
      "state": "active",
            
716
      "url": 
            
717
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00003.gro",
            
718
      "url_type": null
            
719
    },
            
720
    {
            
721
      "cache_last_updated": null,
            
722
      "cache_url": null,
            
723
      "created": "2023-02-23T03:38:43.017592",
            
724
      "description": null,
            
725
      "format": "mdp",
            
726
      "hash": "",
            
727
      "id": "64cf995f-f9d0-4932-8366-9a0bc4155013",
            
728
      "last_modified": null,
            
729
      "metadata_modified": "2023-02-23T03:38:42.970505",
            
730
      "mimetype": null,
            
731
      "mimetype_inner": null,
            
732
      "name": 
            
733
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00004.mdp",
            
734
      "owner_org": "mduq",
            
735
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
736
      "position": 27,
            
737
      "resource_type": "control",
            
738
      "run": 4,
            
739
      "size": 1740,
            
740
      "state": "active",
            
741
      "url": 
            
742
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00004.mdp",
            
743
      "url_type": null
            
744
    },
            
745
    {
            
746
      "cache_last_updated": null,
            
747
      "cache_url": null,
            
748
      "created": "2023-02-23T03:38:43.017593",
            
749
      "description": null,
            
750
      "format": "tpr",
            
751
      "hash": "",
            
752
      "id": "d15b7f4b-4414-48f1-add1-b4951fb6c0a7",
            
753
      "last_modified": null,
            
754
      "metadata_modified": "2023-02-23T03:38:42.970614",
            
755
      "mimetype": null,
            
756
      "mimetype_inner": null,
            
757
      "name": 
            
758
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00004.tpr",
            
759
      "owner_org": "mduq",
            
760
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
761
      "position": 28,
            
762
      "resource_type": "forcefield-files",
            
763
      "run": 4,
            
764
      "size": 2731680,
            
765
      "state": "active",
            
766
      "url": 
            
767
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00004.tpr",
            
768
      "url_type": null
            
769
    },
            
770
    {
            
771
      "cache_last_updated": null,
            
772
      "cache_url": null,
            
773
      "created": "2023-02-23T03:38:43.017595",
            
774
      "description": null,
            
775
      "format": "gro",
            
776
      "hash": "",
            
777
      "id": "b3b42636-3057-4034-bf7b-9c9c19c63bae",
            
778
      "last_modified": null,
            
779
      "metadata_modified": "2023-02-23T03:38:42.970722",
            
780
      "mimetype": null,
            
781
      "mimetype_inner": null,
            
782
      "name": 
            
783
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00004.gro",
            
784
      "owner_org": "mduq",
            
785
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
786
      "position": 29,
            
787
      "resource_type": "input-coordinates",
            
788
      "run": 4,
            
789
      "size": 4430396,
            
790
      "state": "active",
            
791
      "url": 
            
792
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00004.gro",
            
793
      "url_type": null
            
794
    },
            
795
    {
            
796
      "cache_last_updated": null,
            
797
      "cache_url": null,
            
798
      "created": "2023-02-23T03:38:43.017597",
            
799
      "description": null,
            
800
      "format": "log",
            
801
      "hash": "",
            
802
      "id": "7253968a-8aeb-4e3d-9a7a-059634ecba21",
            
803
      "last_modified": null,
            
804
      "metadata_modified": "2023-02-23T03:38:42.970830",
            
805
      "mimetype": null,
            
806
      "mimetype_inner": null,
            
807
      "name": 
            
808
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00004.log",
            
809
      "owner_org": "mduq",
            
810
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
811
      "position": 30,
            
812
      "resource_type": "log",
            
813
      "run": 4,
            
814
      "size": 29117110,
            
815
      "state": "active",
            
816
      "url": 
            
817
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00004.log",
            
818
      "url_type": null
            
819
    },
            
820
    {
            
821
      "cache_last_updated": null,
            
822
      "cache_url": null,
            
823
      "created": "2023-02-23T03:38:43.017598",
            
824
      "description": null,
            
825
      "format": "gro",
            
826
      "hash": "",
            
827
      "id": "96f6aac9-3b0a-4356-858b-324676b46f9f",
            
828
      "last_modified": null,
            
829
      "metadata_modified": "2023-02-23T03:38:42.970938",
            
830
      "mimetype": null,
            
831
      "mimetype_inner": null,
            
832
      "name": 
            
833
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00004.gro",
            
834
      "owner_org": "mduq",
            
835
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
836
      "position": 31,
            
837
      "resource_type": "energy",
            
838
      "run": 4,
            
839
      "size": 24403460,
            
840
      "state": "active",
            
841
      "url": 
            
842
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00004.gro",
            
843
      "url_type": null
            
844
    },
            
845
    {
            
846
      "cache_last_updated": null,
            
847
      "cache_url": null,
            
848
      "created": "2023-02-23T03:38:43.017600",
            
849
      "description": null,
            
850
      "format": "edr",
            
851
      "hash": "",
            
852
      "id": "4ef6e54a-eaae-45eb-b5b1-1558756de3b2",
            
853
      "last_modified": null,
            
854
      "metadata_modified": "2023-02-23T03:38:42.971047",
            
855
      "mimetype": null,
            
856
      "mimetype_inner": null,
            
857
      "name": 
            
858
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00004.edr",
            
859
      "owner_org": "mduq",
            
860
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
861
      "position": 32,
            
862
      "resource_type": "energy",
            
863
      "run": 4,
            
864
      "size": 24403460,
            
865
      "state": "active",
            
866
      "url": 
            
867
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00004.edr",
            
868
      "url_type": null
            
869
    },
            
870
    {
            
871
      "cache_last_updated": null,
            
872
      "cache_url": null,
            
873
      "created": "2023-02-23T03:38:43.017602",
            
874
      "description": null,
            
875
      "format": "gro",
            
876
      "hash": "",
            
877
      "id": "324cc91e-eab9-4a38-8977-e2f55d5f3c33",
            
878
      "last_modified": null,
            
879
      "metadata_modified": "2023-02-23T03:38:42.971155",
            
880
      "mimetype": null,
            
881
      "mimetype_inner": null,
            
882
      "name": 
            
883
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00004.gro",
            
884
      "owner_org": "mduq",
            
885
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
886
      "position": 33,
            
887
      "resource_type": "final-coordinates",
            
888
      "run": 4,
            
889
      "size": 4430396,
            
890
      "state": "active",
            
891
      "url": 
            
892
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00004.gro",
            
893
      "url_type": null
            
894
    },
            
895
    {
            
896
      "cache_last_updated": null,
            
897
      "cache_url": null,
            
898
      "created": "2023-02-23T03:38:43.017603",
            
899
      "description": null,
            
900
      "format": "gro",
            
901
      "hash": "",
            
902
      "id": "649b4242-6cbc-47ce-9868-b5404bdf9b40",
            
903
      "last_modified": null,
            
904
      "metadata_modified": "2023-02-23T03:38:42.971263",
            
905
      "mimetype": null,
            
906
      "mimetype_inner": null,
            
907
      "name": 
            
908
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00004.gro",
            
909
      "owner_org": "mduq",
            
910
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
911
      "position": 34,
            
912
      "resource_type": "restraints",
            
913
      "run": 4,
            
914
      "size": 4430396,
            
915
      "state": "active",
            
916
      "url": 
            
917
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00004.gro",
            
918
      "url_type": null
            
919
    },
            
920
    {
            
921
      "cache_last_updated": null,
            
922
      "cache_url": null,
            
923
      "created": "2023-02-23T03:38:43.017605",
            
924
      "description": null,
            
925
      "format": "mdp",
            
926
      "hash": "",
            
927
      "id": "d2cfad18-6b5f-457e-a645-48cffd0fb2b4",
            
928
      "last_modified": null,
            
929
      "metadata_modified": "2023-02-23T03:38:42.971374",
            
930
      "mimetype": null,
            
931
      "mimetype_inner": null,
            
932
      "name": 
            
933
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00005.mdp",
            
934
      "owner_org": "mduq",
            
935
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
936
      "position": 35,
            
937
      "resource_type": "control",
            
938
      "run": 5,
            
939
      "size": 1740,
            
940
      "state": "active",
            
941
      "url": 
            
942
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00005.mdp",
            
943
      "url_type": null
            
944
    },
            
945
    {
            
946
      "cache_last_updated": null,
            
947
      "cache_url": null,
            
948
      "created": "2023-02-23T03:38:43.017606",
            
949
      "description": null,
            
950
      "format": "tpr",
            
951
      "hash": "",
            
952
      "id": "8c6d3826-b5b2-4670-a2c8-de3d8c17c4b2",
            
953
      "last_modified": null,
            
954
      "metadata_modified": "2023-02-23T03:38:42.971483",
            
955
      "mimetype": null,
            
956
      "mimetype_inner": null,
            
957
      "name": 
            
958
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00005.tpr",
            
959
      "owner_org": "mduq",
            
960
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
961
      "position": 36,
            
962
      "resource_type": "forcefield-files",
            
963
      "run": 5,
            
964
      "size": 2731680,
            
965
      "state": "active",
            
966
      "url": 
            
967
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00005.tpr",
            
968
      "url_type": null
            
969
    },
            
970
    {
            
971
      "cache_last_updated": null,
            
972
      "cache_url": null,
            
973
      "created": "2023-02-23T03:38:43.017608",
            
974
      "description": null,
            
975
      "format": "gro",
            
976
      "hash": "",
            
977
      "id": "e218bb7d-16a8-4478-bab9-183f7bc11cd4",
            
978
      "last_modified": null,
            
979
      "metadata_modified": "2023-02-23T03:38:42.971593",
            
980
      "mimetype": null,
            
981
      "mimetype_inner": null,
            
982
      "name": 
            
983
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00005.gro",
            
984
      "owner_org": "mduq",
            
985
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
986
      "position": 37,
            
987
      "resource_type": "input-coordinates",
            
988
      "run": 5,
            
989
      "size": 4430396,
            
990
      "state": "active",
            
991
      "url": 
            
992
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00005.gro",
            
993
      "url_type": null
            
994
    },
            
995
    {
            
996
      "cache_last_updated": null,
            
997
      "cache_url": null,
            
998
      "created": "2023-02-23T03:38:43.017610",
            
999
      "description": null,
            
1000
      "format": "log",
            
1001
      "hash": "",
            
1002
      "id": "0c1c7a26-2310-4c03-8270-fa212220109d",
            
1003
      "last_modified": null,
            
1004
      "metadata_modified": "2023-02-23T03:38:42.971704",
            
1005
      "mimetype": null,
            
1006
      "mimetype_inner": null,
            
1007
      "name": 
            
1008
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00005.log",
            
1009
      "owner_org": "mduq",
            
1010
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1011
      "position": 38,
            
1012
      "resource_type": "log",
            
1013
      "run": 5,
            
1014
      "size": 29117117,
            
1015
      "state": "active",
            
1016
      "url": 
            
1017
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00005.log",
            
1018
      "url_type": null
            
1019
    },
            
1020
    {
            
1021
      "cache_last_updated": null,
            
1022
      "cache_url": null,
            
1023
      "created": "2023-02-23T03:38:43.017611",
            
1024
      "description": null,
            
1025
      "format": "edr",
            
1026
      "hash": "",
            
1027
      "id": "80ea7080-cbc5-4e1e-8656-7fbb9b9c846b",
            
1028
      "last_modified": null,
            
1029
      "metadata_modified": "2023-02-23T03:38:42.971813",
            
1030
      "mimetype": null,
            
1031
      "mimetype_inner": null,
            
1032
      "name": 
            
1033
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00005.edr",
            
1034
      "owner_org": "mduq",
            
1035
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1036
      "position": 39,
            
1037
      "resource_type": "energy",
            
1038
      "run": 5,
            
1039
      "size": 24403460,
            
1040
      "state": "active",
            
1041
      "url": 
            
1042
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00005.edr",
            
1043
      "url_type": null
            
1044
    },
            
1045
    {
            
1046
      "cache_last_updated": null,
            
1047
      "cache_url": null,
            
1048
      "created": "2023-02-23T03:38:43.017613",
            
1049
      "description": null,
            
1050
      "format": "gro",
            
1051
      "hash": "",
            
1052
      "id": "a44bd787-79c2-4f5f-b085-784ac5ee6360",
            
1053
      "last_modified": null,
            
1054
      "metadata_modified": "2023-02-23T03:38:42.971922",
            
1055
      "mimetype": null,
            
1056
      "mimetype_inner": null,
            
1057
      "name": 
            
1058
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00005.gro",
            
1059
      "owner_org": "mduq",
            
1060
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1061
      "position": 40,
            
1062
      "resource_type": "final-coordinates",
            
1063
      "run": 5,
            
1064
      "size": 4430396,
            
1065
      "state": "active",
            
1066
      "url": 
            
1067
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00005.gro",
            
1068
      "url_type": null
            
1069
    },
            
1070
    {
            
1071
      "cache_last_updated": null,
            
1072
      "cache_url": null,
            
1073
      "created": "2023-02-23T03:38:43.017614",
            
1074
      "description": null,
            
1075
      "format": "gro",
            
1076
      "hash": "",
            
1077
      "id": "708870cb-9ddf-4037-a437-2e742c0b7e2a",
            
1078
      "last_modified": null,
            
1079
      "metadata_modified": "2023-02-23T03:38:42.972030",
            
1080
      "mimetype": null,
            
1081
      "mimetype_inner": null,
            
1082
      "name": 
            
1083
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00005.gro",
            
1084
      "owner_org": "mduq",
            
1085
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1086
      "position": 41,
            
1087
      "resource_type": "restraints",
            
1088
      "run": 5,
            
1089
      "size": 4430396,
            
1090
      "state": "active",
            
1091
      "url": 
            
1092
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00005.gro",
            
1093
      "url_type": null
            
1094
    },
            
1095
    {
            
1096
      "cache_last_updated": null,
            
1097
      "cache_url": null,
            
1098
      "created": "2023-02-23T03:38:43.017616",
            
1099
      "description": null,
            
1100
      "format": "mdp",
            
1101
      "hash": "",
            
1102
      "id": "7bbefd1f-c2db-4cd3-880d-042a5811d425",
            
1103
      "last_modified": null,
            
1104
      "metadata_modified": "2023-02-23T03:38:42.972137",
            
1105
      "mimetype": null,
            
1106
      "mimetype_inner": null,
            
1107
      "name": 
            
1108
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00006.mdp",
            
1109
      "owner_org": "mduq",
            
1110
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1111
      "position": 42,
            
1112
      "resource_type": "control",
            
1113
      "run": 6,
            
1114
      "size": 1740,
            
1115
      "state": "active",
            
1116
      "url": 
            
1117
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00006.mdp",
            
1118
      "url_type": null
            
1119
    },
            
1120
    {
            
1121
      "cache_last_updated": null,
            
1122
      "cache_url": null,
            
1123
      "created": "2023-02-23T03:38:43.017617",
            
1124
      "description": null,
            
1125
      "format": "tpr",
            
1126
      "hash": "",
            
1127
      "id": "4b281de6-5633-492d-a721-c0744ed73729",
            
1128
      "last_modified": null,
            
1129
      "metadata_modified": "2023-02-23T03:38:42.972246",
            
1130
      "mimetype": null,
            
1131
      "mimetype_inner": null,
            
1132
      "name": 
            
1133
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00006.tpr",
            
1134
      "owner_org": "mduq",
            
1135
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1136
      "position": 43,
            
1137
      "resource_type": "forcefield-files",
            
1138
      "run": 6,
            
1139
      "size": 2731680,
            
1140
      "state": "active",
            
1141
      "url": 
            
1142
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00006.tpr",
            
1143
      "url_type": null
            
1144
    },
            
1145
    {
            
1146
      "cache_last_updated": null,
            
1147
      "cache_url": null,
            
1148
      "created": "2023-02-23T03:38:43.017619",
            
1149
      "description": null,
            
1150
      "format": "gro",
            
1151
      "hash": "",
            
1152
      "id": "e8e8646b-502d-444b-a922-d155195448db",
            
1153
      "last_modified": null,
            
1154
      "metadata_modified": "2023-02-23T03:38:42.972355",
            
1155
      "mimetype": null,
            
1156
      "mimetype_inner": null,
            
1157
      "name": 
            
1158
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00006.gro",
            
1159
      "owner_org": "mduq",
            
1160
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1161
      "position": 44,
            
1162
      "resource_type": "input-coordinates",
            
1163
      "run": 6,
            
1164
      "size": 4430396,
            
1165
      "state": "active",
            
1166
      "url": 
            
1167
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00006.gro",
            
1168
      "url_type": null
            
1169
    },
            
1170
    {
            
1171
      "cache_last_updated": null,
            
1172
      "cache_url": null,
            
1173
      "created": "2023-02-23T03:38:43.017620",
            
1174
      "description": null,
            
1175
      "format": "log",
            
1176
      "hash": "",
            
1177
      "id": "db28116f-3152-46ab-b236-b8d3dd530b13",
            
1178
      "last_modified": null,
            
1179
      "metadata_modified": "2023-02-23T03:38:42.972483",
            
1180
      "mimetype": null,
            
1181
      "mimetype_inner": null,
            
1182
      "name": 
            
1183
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00006.log",
            
1184
      "owner_org": "mduq",
            
1185
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1186
      "position": 45,
            
1187
      "resource_type": "log",
            
1188
      "run": 6,
            
1189
      "size": 29117052,
            
1190
      "state": "active",
            
1191
      "url": 
            
1192
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00006.log",
            
1193
      "url_type": null
            
1194
    },
            
1195
    {
            
1196
      "cache_last_updated": null,
            
1197
      "cache_url": null,
            
1198
      "created": "2023-02-23T03:38:43.017622",
            
1199
      "description": null,
            
1200
      "format": "edr",
            
1201
      "hash": "",
            
1202
      "id": "2b16b718-77b3-406c-9c9d-51b38a398424",
            
1203
      "last_modified": null,
            
1204
      "metadata_modified": "2023-02-23T03:38:42.972592",
            
1205
      "mimetype": null,
            
1206
      "mimetype_inner": null,
            
1207
      "name": 
            
1208
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00006.edr",
            
1209
      "owner_org": "mduq",
            
1210
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1211
      "position": 46,
            
1212
      "resource_type": "energy",
            
1213
      "run": 6,
            
1214
      "size": 24403460,
            
1215
      "state": "active",
            
1216
      "url": 
            
1217
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00006.edr",
            
1218
      "url_type": null
            
1219
    },
            
1220
    {
            
1221
      "cache_last_updated": null,
            
1222
      "cache_url": null,
            
1223
      "created": "2023-02-23T03:38:43.017624",
            
1224
      "description": null,
            
1225
      "format": "gro",
            
1226
      "hash": "",
            
1227
      "id": "eaf9fc25-9321-4061-992d-6a747ca28b61",
            
1228
      "last_modified": null,
            
1229
      "metadata_modified": "2023-02-23T03:38:42.972700",
            
1230
      "mimetype": null,
            
1231
      "mimetype_inner": null,
            
1232
      "name": 
            
1233
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00006.gro",
            
1234
      "owner_org": "mduq",
            
1235
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1236
      "position": 47,
            
1237
      "resource_type": "final-coordinates",
            
1238
      "run": 6,
            
1239
      "size": 4430396,
            
1240
      "state": "active",
            
1241
      "url": 
            
1242
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00006.gro",
            
1243
      "url_type": null
            
1244
    },
            
1245
    {
            
1246
      "cache_last_updated": null,
            
1247
      "cache_url": null,
            
1248
      "created": "2023-02-23T03:38:43.017625",
            
1249
      "description": null,
            
1250
      "format": "gro",
            
1251
      "hash": "",
            
1252
      "id": "11be7534-f970-4a53-a0a7-428b096120c8",
            
1253
      "last_modified": null,
            
1254
      "metadata_modified": "2023-02-23T03:38:42.972809",
            
1255
      "mimetype": null,
            
1256
      "mimetype_inner": null,
            
1257
      "name": 
            
1258
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00006.gro",
            
1259
      "owner_org": "mduq",
            
1260
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1261
      "position": 48,
            
1262
      "resource_type": "restraints",
            
1263
      "run": 6,
            
1264
      "size": 4430396,
            
1265
      "state": "active",
            
1266
      "url": 
            
1267
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00006.gro",
            
1268
      "url_type": null
            
1269
    },
            
1270
    {
            
1271
      "cache_last_updated": null,
            
1272
      "cache_url": null,
            
1273
      "created": "2023-02-23T03:38:43.017627",
            
1274
      "description": null,
            
1275
      "format": "mdp",
            
1276
      "hash": "",
            
1277
      "id": "65bad530-a7ca-45b0-bd87-484f174d69b8",
            
1278
      "last_modified": null,
            
1279
      "metadata_modified": "2023-02-23T03:38:42.972917",
            
1280
      "mimetype": null,
            
1281
      "mimetype_inner": null,
            
1282
      "name": 
            
1283
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00007.mdp",
            
1284
      "owner_org": "mduq",
            
1285
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1286
      "position": 49,
            
1287
      "resource_type": "control",
            
1288
      "run": 7,
            
1289
      "size": 1741,
            
1290
      "state": "active",
            
1291
      "url": 
            
1292
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00007.mdp",
            
1293
      "url_type": null
            
1294
    },
            
1295
    {
            
1296
      "cache_last_updated": null,
            
1297
      "cache_url": null,
            
1298
      "created": "2023-02-23T03:38:43.017628",
            
1299
      "description": null,
            
1300
      "format": "tpr",
            
1301
      "hash": "",
            
1302
      "id": "befd4c57-32d5-4056-af9d-5c9482cadb50",
            
1303
      "last_modified": null,
            
1304
      "metadata_modified": "2023-02-23T03:38:42.973024",
            
1305
      "mimetype": null,
            
1306
      "mimetype_inner": null,
            
1307
      "name": 
            
1308
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00007.tpr",
            
1309
      "owner_org": "mduq",
            
1310
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1311
      "position": 50,
            
1312
      "resource_type": "forcefield-files",
            
1313
      "run": 7,
            
1314
      "size": 2731680,
            
1315
      "state": "active",
            
1316
      "url": 
            
1317
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00007.tpr",
            
1318
      "url_type": null
            
1319
    },
            
1320
    {
            
1321
      "cache_last_updated": null,
            
1322
      "cache_url": null,
            
1323
      "created": "2023-02-23T03:38:43.017630",
            
1324
      "description": null,
            
1325
      "format": "gro",
            
1326
      "hash": "",
            
1327
      "id": "fa7acbe2-4b6f-4026-9094-3eb8736f14cc",
            
1328
      "last_modified": null,
            
1329
      "metadata_modified": "2023-02-23T03:38:42.973132",
            
1330
      "mimetype": null,
            
1331
      "mimetype_inner": null,
            
1332
      "name": 
            
1333
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00007.gro",
            
1334
      "owner_org": "mduq",
            
1335
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1336
      "position": 51,
            
1337
      "resource_type": "input-coordinates",
            
1338
      "run": 7,
            
1339
      "size": 4430396,
            
1340
      "state": "active",
            
1341
      "url": 
            
1342
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00007.gro",
            
1343
      "url_type": null
            
1344
    },
            
1345
    {
            
1346
      "cache_last_updated": null,
            
1347
      "cache_url": null,
            
1348
      "created": "2023-02-23T03:38:43.017632",
            
1349
      "description": null,
            
1350
      "format": "log",
            
1351
      "hash": "",
            
1352
      "id": "d9a67067-d5ed-457d-bc56-3d3f8242f5ac",
            
1353
      "last_modified": null,
            
1354
      "metadata_modified": "2023-02-23T03:38:42.973241",
            
1355
      "mimetype": null,
            
1356
      "mimetype_inner": null,
            
1357
      "name": 
            
1358
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00007.log",
            
1359
      "owner_org": "mduq",
            
1360
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1361
      "position": 52,
            
1362
      "resource_type": "log",
            
1363
      "run": 7,
            
1364
      "size": 58219069,
            
1365
      "state": "active",
            
1366
      "url": 
            
1367
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00007.log",
            
1368
      "url_type": null
            
1369
    },
            
1370
    {
            
1371
      "cache_last_updated": null,
            
1372
      "cache_url": null,
            
1373
      "created": "2023-02-23T03:38:43.017633",
            
1374
      "description": null,
            
1375
      "format": "edr",
            
1376
      "hash": "",
            
1377
      "id": "5b03fc63-851d-4c48-86f5-fceaa3061fa3",
            
1378
      "last_modified": null,
            
1379
      "metadata_modified": "2023-02-23T03:38:42.973348",
            
1380
      "mimetype": null,
            
1381
      "mimetype_inner": null,
            
1382
      "name": 
            
1383
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00007.edr",
            
1384
      "owner_org": "mduq",
            
1385
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1386
      "position": 53,
            
1387
      "resource_type": "energy",
            
1388
      "run": 7,
            
1389
      "size": 48803460,
            
1390
      "state": "active",
            
1391
      "url": 
            
1392
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00007.edr",
            
1393
      "url_type": null
            
1394
    },
            
1395
    {
            
1396
      "cache_last_updated": null,
            
1397
      "cache_url": null,
            
1398
      "created": "2023-02-23T03:38:43.017635",
            
1399
      "description": null,
            
1400
      "format": "gro",
            
1401
      "hash": "",
            
1402
      "id": "507839a8-a9c2-4f81-91ab-8d73a53f951e",
            
1403
      "last_modified": null,
            
1404
      "metadata_modified": "2023-02-23T03:38:42.973457",
            
1405
      "mimetype": null,
            
1406
      "mimetype_inner": null,
            
1407
      "name": 
            
1408
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00007.gro",
            
1409
      "owner_org": "mduq",
            
1410
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1411
      "position": 54,
            
1412
      "resource_type": "final-coordinates",
            
1413
      "run": 7,
            
1414
      "size": 4430396,
            
1415
      "state": "active",
            
1416
      "url": 
            
1417
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00007.gro",
            
1418
      "url_type": null
            
1419
    },
            
1420
    {
            
1421
      "cache_last_updated": null,
            
1422
      "cache_url": null,
            
1423
      "created": "2023-02-23T03:38:43.017636",
            
1424
      "description": null,
            
1425
      "format": "gro",
            
1426
      "hash": "",
            
1427
      "id": "da09817f-2423-40ad-b3d7-4022e4908b20",
            
1428
      "last_modified": null,
            
1429
      "metadata_modified": "2023-02-23T03:38:42.973565",
            
1430
      "mimetype": null,
            
1431
      "mimetype_inner": null,
            
1432
      "name": 
            
1433
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00007.gro",
            
1434
      "owner_org": "mduq",
            
1435
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1436
      "position": 55,
            
1437
      "resource_type": "restraints",
            
1438
      "run": 7,
            
1439
      "size": 4430396,
            
1440
      "state": "active",
            
1441
      "url": 
            
1442
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00007.gro",
            
1443
      "url_type": null
            
1444
    },
            
1445
    {
            
1446
      "cache_last_updated": null,
            
1447
      "cache_url": null,
            
1448
      "created": "2023-02-23T03:38:43.017638",
            
1449
      "description": null,
            
1450
      "format": "mdp",
            
1451
      "hash": "",
            
1452
      "id": "a9f3ca91-a51c-408d-8c2e-83d31697e1bb",
            
1453
      "last_modified": null,
            
1454
      "metadata_modified": "2023-02-23T03:38:42.973673",
            
1455
      "mimetype": null,
            
1456
      "mimetype_inner": null,
            
1457
      "name": 
            
1458
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00008.mdp",
            
1459
      "owner_org": "mduq",
            
1460
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1461
      "position": 56,
            
1462
      "resource_type": "control",
            
1463
      "run": 8,
            
1464
      "size": 1741,
            
1465
      "state": "active",
            
1466
      "url": 
            
1467
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00008.mdp",
            
1468
      "url_type": null
            
1469
    },
            
1470
    {
            
1471
      "cache_last_updated": null,
            
1472
      "cache_url": null,
            
1473
      "created": "2023-02-23T03:38:43.017639",
            
1474
      "description": null,
            
1475
      "format": "tpr",
            
1476
      "hash": "",
            
1477
      "id": "111c520c-dd68-4a43-b2ed-a674bf0a353d",
            
1478
      "last_modified": null,
            
1479
      "metadata_modified": "2023-02-23T03:38:42.973782",
            
1480
      "mimetype": null,
            
1481
      "mimetype_inner": null,
            
1482
      "name": 
            
1483
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00008.tpr",
            
1484
      "owner_org": "mduq",
            
1485
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1486
      "position": 57,
            
1487
      "resource_type": "forcefield-files",
            
1488
      "run": 8,
            
1489
      "size": 2731680,
            
1490
      "state": "active",
            
1491
      "url": 
            
1492
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00008.tpr",
            
1493
      "url_type": null
            
1494
    },
            
1495
    {
            
1496
      "cache_last_updated": null,
            
1497
      "cache_url": null,
            
1498
      "created": "2023-02-23T03:38:43.017641",
            
1499
      "description": null,
            
1500
      "format": "gro",
            
1501
      "hash": "",
            
1502
      "id": "1ccc85fd-0bdf-4cce-b05b-5877654e2863",
            
1503
      "last_modified": null,
            
1504
      "metadata_modified": "2023-02-23T03:38:42.973891",
            
1505
      "mimetype": null,
            
1506
      "mimetype_inner": null,
            
1507
      "name": 
            
1508
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00008.gro",
            
1509
      "owner_org": "mduq",
            
1510
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1511
      "position": 58,
            
1512
      "resource_type": "input-coordinates",
            
1513
      "run": 8,
            
1514
      "size": 4430396,
            
1515
      "state": "active",
            
1516
      "url": 
            
1517
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00008.gro",
            
1518
      "url_type": null
            
1519
    },
            
1520
    {
            
1521
      "cache_last_updated": null,
            
1522
      "cache_url": null,
            
1523
      "created": "2023-02-23T03:38:43.017642",
            
1524
      "description": null,
            
1525
      "format": "log",
            
1526
      "hash": "",
            
1527
      "id": "8e9803e4-fbc5-4211-8387-45148b0350be",
            
1528
      "last_modified": null,
            
1529
      "metadata_modified": "2023-02-23T03:38:42.974000",
            
1530
      "mimetype": null,
            
1531
      "mimetype_inner": null,
            
1532
      "name": 
            
1533
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00008.log",
            
1534
      "owner_org": "mduq",
            
1535
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1536
      "position": 59,
            
1537
      "resource_type": "log",
            
1538
      "run": 8,
            
1539
      "size": 58219029,
            
1540
      "state": "active",
            
1541
      "url": 
            
1542
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00008.log",
            
1543
      "url_type": null
            
1544
    },
            
1545
    {
            
1546
      "cache_last_updated": null,
            
1547
      "cache_url": null,
            
1548
      "created": "2023-02-23T03:38:43.017644",
            
1549
      "description": null,
            
1550
      "format": "edr",
            
1551
      "hash": "",
            
1552
      "id": "0d6c0b16-975f-4817-b0c7-21604efcd899",
            
1553
      "last_modified": null,
            
1554
      "metadata_modified": "2023-02-23T03:38:42.974109",
            
1555
      "mimetype": null,
            
1556
      "mimetype_inner": null,
            
1557
      "name": 
            
1558
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00008.edr",
            
1559
      "owner_org": "mduq",
            
1560
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1561
      "position": 60,
            
1562
      "resource_type": "energy",
            
1563
      "run": 8,
            
1564
      "size": 48803460,
            
1565
      "state": "active",
            
1566
      "url": 
            
1567
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00008.edr",
            
1568
      "url_type": null
            
1569
    },
            
1570
    {
            
1571
      "cache_last_updated": null,
            
1572
      "cache_url": null,
            
1573
      "created": "2023-02-23T03:38:43.017645",
            
1574
      "description": null,
            
1575
      "format": "gro",
            
1576
      "hash": "",
            
1577
      "id": "4a148809-2e1b-4c62-a49e-7020e1ea55e3",
            
1578
      "last_modified": null,
            
1579
      "metadata_modified": "2023-02-23T03:38:42.974218",
            
1580
      "mimetype": null,
            
1581
      "mimetype_inner": null,
            
1582
      "name": 
            
1583
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00008.gro",
            
1584
      "owner_org": "mduq",
            
1585
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1586
      "position": 61,
            
1587
      "resource_type": "final-coordinates",
            
1588
      "run": 8,
            
1589
      "size": 4430396,
            
1590
      "state": "active",
            
1591
      "url": 
            
1592
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00008.gro",
            
1593
      "url_type": null
            
1594
    },
            
1595
    {
            
1596
      "cache_last_updated": null,
            
1597
      "cache_url": null,
            
1598
      "created": "2023-02-23T03:38:43.017647",
            
1599
      "description": null,
            
1600
      "format": "gro",
            
1601
      "hash": "",
            
1602
      "id": "f8626dd8-5eae-4765-bf03-03a500c0583d",
            
1603
      "last_modified": null,
            
1604
      "metadata_modified": "2023-02-23T03:38:42.974327",
            
1605
      "mimetype": null,
            
1606
      "mimetype_inner": null,
            
1607
      "name": 
            
1608
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00008.gro",
            
1609
      "owner_org": "mduq",
            
1610
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1611
      "position": 62,
            
1612
      "resource_type": "restraints",
            
1613
      "run": 8,
            
1614
      "size": 4430396,
            
1615
      "state": "active",
            
1616
      "url": 
            
1617
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00008.gro",
            
1618
      "url_type": null
            
1619
    },
            
1620
    {
            
1621
      "cache_last_updated": null,
            
1622
      "cache_url": null,
            
1623
      "created": "2023-02-23T03:38:43.017648",
            
1624
      "description": null,
            
1625
      "format": "mdp",
            
1626
      "hash": "",
            
1627
      "id": "83958994-3179-4712-83fb-2b057900a50f",
            
1628
      "last_modified": null,
            
1629
      "metadata_modified": "2023-02-23T03:38:42.974559",
            
1630
      "mimetype": null,
            
1631
      "mimetype_inner": null,
            
1632
      "name": 
            
1633
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00009.mdp",
            
1634
      "owner_org": "mduq",
            
1635
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1636
      "position": 63,
            
1637
      "resource_type": "control",
            
1638
      "run": 9,
            
1639
      "size": 1741,
            
1640
      "state": "active",
            
1641
      "url": 
            
1642
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00009.mdp",
            
1643
      "url_type": null
            
1644
    },
            
1645
    {
            
1646
      "cache_last_updated": null,
            
1647
      "cache_url": null,
            
1648
      "created": "2023-02-23T03:38:43.017650",
            
1649
      "description": null,
            
1650
      "format": "tpr",
            
1651
      "hash": "",
            
1652
      "id": "4361f7ad-42e0-4d5b-9374-071a7b0f4302",
            
1653
      "last_modified": null,
            
1654
      "metadata_modified": "2023-02-23T03:38:42.974689",
            
1655
      "mimetype": null,
            
1656
      "mimetype_inner": null,
            
1657
      "name": 
            
1658
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00009.tpr",
            
1659
      "owner_org": "mduq",
            
1660
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1661
      "position": 64,
            
1662
      "resource_type": "forcefield-files",
            
1663
      "run": 9,
            
1664
      "size": 2731680,
            
1665
      "state": "active",
            
1666
      "url": 
            
1667
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00009.tpr",
            
1668
      "url_type": null
            
1669
    },
            
1670
    {
            
1671
      "cache_last_updated": null,
            
1672
      "cache_url": null,
            
1673
      "created": "2023-02-23T03:38:43.017651",
            
1674
      "description": null,
            
1675
      "format": "gro",
            
1676
      "hash": "",
            
1677
      "id": "b59338e0-24a8-4c86-aaa0-637d36fc41da",
            
1678
      "last_modified": null,
            
1679
      "metadata_modified": "2023-02-23T03:38:42.974805",
            
1680
      "mimetype": null,
            
1681
      "mimetype_inner": null,
            
1682
      "name": 
            
1683
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00009.gro",
            
1684
      "owner_org": "mduq",
            
1685
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1686
      "position": 65,
            
1687
      "resource_type": "input-coordinates",
            
1688
      "run": 9,
            
1689
      "size": 4430396,
            
1690
      "state": "active",
            
1691
      "url": 
            
1692
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00009.gro",
            
1693
      "url_type": null
            
1694
    },
            
1695
    {
            
1696
      "cache_last_updated": null,
            
1697
      "cache_url": null,
            
1698
      "created": "2023-02-23T03:38:43.017653",
            
1699
      "description": null,
            
1700
      "format": "log",
            
1701
      "hash": "",
            
1702
      "id": "961e6afe-d5e3-4942-bc66-b4100d000a14",
            
1703
      "last_modified": null,
            
1704
      "metadata_modified": "2023-02-23T03:38:42.974917",
            
1705
      "mimetype": null,
            
1706
      "mimetype_inner": null,
            
1707
      "name": 
            
1708
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00009.log",
            
1709
      "owner_org": "mduq",
            
1710
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1711
      "position": 66,
            
1712
      "resource_type": "log",
            
1713
      "run": 9,
            
1714
      "size": 58219089,
            
1715
      "state": "active",
            
1716
      "url": 
            
1717
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00009.log",
            
1718
      "url_type": null
            
1719
    },
            
1720
    {
            
1721
      "cache_last_updated": null,
            
1722
      "cache_url": null,
            
1723
      "created": "2023-02-23T03:38:43.017654",
            
1724
      "description": null,
            
1725
      "format": "edr",
            
1726
      "hash": "",
            
1727
      "id": "4d3b6ff1-2e8d-48cb-8059-a34088d60f37",
            
1728
      "last_modified": null,
            
1729
      "metadata_modified": "2023-02-23T03:38:42.975028",
            
1730
      "mimetype": null,
            
1731
      "mimetype_inner": null,
            
1732
      "name": 
            
1733
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00009.edr",
            
1734
      "owner_org": "mduq",
            
1735
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1736
      "position": 67,
            
1737
      "resource_type": "energy",
            
1738
      "run": 9,
            
1739
      "size": 48803460,
            
1740
      "state": "active",
            
1741
      "url": 
            
1742
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00009.edr",
            
1743
      "url_type": null
            
1744
    },
            
1745
    {
            
1746
      "cache_last_updated": null,
            
1747
      "cache_url": null,
            
1748
      "created": "2023-02-23T03:38:43.017656",
            
1749
      "description": null,
            
1750
      "format": "gro",
            
1751
      "hash": "",
            
1752
      "id": "5b56bd64-d973-4161-bfe7-5725e6be365a",
            
1753
      "last_modified": null,
            
1754
      "metadata_modified": "2023-02-23T03:38:42.975138",
            
1755
      "mimetype": null,
            
1756
      "mimetype_inner": null,
            
1757
      "name": 
            
1758
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00009.gro",
            
1759
      "owner_org": "mduq",
            
1760
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1761
      "position": 68,
            
1762
      "resource_type": "final-coordinates",
            
1763
      "run": 9,
            
1764
      "size": 4430396,
            
1765
      "state": "active",
            
1766
      "url": 
            
1767
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00009.gro",
            
1768
      "url_type": null
            
1769
    },
            
1770
    {
            
1771
      "cache_last_updated": null,
            
1772
      "cache_url": null,
            
1773
      "created": "2023-02-23T03:38:43.017657",
            
1774
      "description": null,
            
1775
      "format": "gro",
            
1776
      "hash": "",
            
1777
      "id": "1bc3815d-0ac1-4154-b610-3ac1a1112e8b",
            
1778
      "last_modified": null,
            
1779
      "metadata_modified": "2023-02-23T03:38:42.975248",
            
1780
      "mimetype": null,
            
1781
      "mimetype_inner": null,
            
1782
      "name": 
            
1783
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00009.gro",
            
1784
      "owner_org": "mduq",
            
1785
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1786
      "position": 69,
            
1787
      "resource_type": "restraints",
            
1788
      "run": 9,
            
1789
      "size": 4430396,
            
1790
      "state": "active",
            
1791
      "url": 
            
1792
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00009.gro",
            
1793
      "url_type": null
            
1794
    },
            
1795
    {
            
1796
      "cache_last_updated": null,
            
1797
      "cache_url": null,
            
1798
      "created": "2023-02-23T03:38:43.017659",
            
1799
      "description": null,
            
1800
      "format": "mdp",
            
1801
      "hash": "",
            
1802
      "id": "783e3c00-e024-4649-b8d8-28800de0daea",
            
1803
      "last_modified": null,
            
1804
      "metadata_modified": "2023-02-23T03:38:42.975358",
            
1805
      "mimetype": null,
            
1806
      "mimetype_inner": null,
            
1807
      "name": 
            
1808
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00010.mdp",
            
1809
      "owner_org": "mduq",
            
1810
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1811
      "position": 70,
            
1812
      "resource_type": "control",
            
1813
      "run": 10,
            
1814
      "size": 1741,
            
1815
      "state": "active",
            
1816
      "url": 
            
1817
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00010.mdp",
            
1818
      "url_type": null
            
1819
    },
            
1820
    {
            
1821
      "cache_last_updated": null,
            
1822
      "cache_url": null,
            
1823
      "created": "2023-02-23T03:38:43.017661",
            
1824
      "description": null,
            
1825
      "format": "tpr",
            
1826
      "hash": "",
            
1827
      "id": "5cd12e59-68d6-4844-b1b6-af3249a57821",
            
1828
      "last_modified": null,
            
1829
      "metadata_modified": "2023-02-23T03:38:42.975468",
            
1830
      "mimetype": null,
            
1831
      "mimetype_inner": null,
            
1832
      "name": 
            
1833
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00010.tpr",
            
1834
      "owner_org": "mduq",
            
1835
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1836
      "position": 71,
            
1837
      "resource_type": "forcefield-files",
            
1838
      "run": 10,
            
1839
      "size": 2731680,
            
1840
      "state": "active",
            
1841
      "url": 
            
1842
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00010.tpr",
            
1843
      "url_type": null
            
1844
    },
            
1845
    {
            
1846
      "cache_last_updated": null,
            
1847
      "cache_url": null,
            
1848
      "created": "2023-02-23T03:38:43.017662",
            
1849
      "description": null,
            
1850
      "format": "gro",
            
1851
      "hash": "",
            
1852
      "id": "87be9815-dc1b-4987-b05c-7dcb584dc646",
            
1853
      "last_modified": null,
            
1854
      "metadata_modified": "2023-02-23T03:38:42.975578",
            
1855
      "mimetype": null,
            
1856
      "mimetype_inner": null,
            
1857
      "name": 
            
1858
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00010.gro",
            
1859
      "owner_org": "mduq",
            
1860
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1861
      "position": 72,
            
1862
      "resource_type": "input-coordinates",
            
1863
      "run": 10,
            
1864
      "size": 4430396,
            
1865
      "state": "active",
            
1866
      "url": 
            
1867
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00010.gro",
            
1868
      "url_type": null
            
1869
    },
            
1870
    {
            
1871
      "cache_last_updated": null,
            
1872
      "cache_url": null,
            
1873
      "created": "2023-02-23T03:38:43.017664",
            
1874
      "description": null,
            
1875
      "format": "log",
            
1876
      "hash": "",
            
1877
      "id": "9b009be9-ddc2-4892-b0c1-22e3ef591c81",
            
1878
      "last_modified": null,
            
1879
      "metadata_modified": "2023-02-23T03:38:42.975688",
            
1880
      "mimetype": null,
            
1881
      "mimetype_inner": null,
            
1882
      "name": 
            
1883
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00010.log",
            
1884
      "owner_org": "mduq",
            
1885
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1886
      "position": 73,
            
1887
      "resource_type": "log",
            
1888
      "run": 10,
            
1889
      "size": 58219091,
            
1890
      "state": "active",
            
1891
      "url": 
            
1892
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00010.log",
            
1893
      "url_type": null
            
1894
    },
            
1895
    {
            
1896
      "cache_last_updated": null,
            
1897
      "cache_url": null,
            
1898
      "created": "2023-02-23T03:38:43.017665",
            
1899
      "description": null,
            
1900
      "format": "edr",
            
1901
      "hash": "",
            
1902
      "id": "d8025472-b066-4881-8f8b-af17e14cb385",
            
1903
      "last_modified": null,
            
1904
      "metadata_modified": "2023-02-23T03:38:42.975797",
            
1905
      "mimetype": null,
            
1906
      "mimetype_inner": null,
            
1907
      "name": 
            
1908
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00010.edr",
            
1909
      "owner_org": "mduq",
            
1910
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1911
      "position": 74,
            
1912
      "resource_type": "energy",
            
1913
      "run": 10,
            
1914
      "size": 48803460,
            
1915
      "state": "active",
            
1916
      "url": 
            
1917
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00010.edr",
            
1918
      "url_type": null
            
1919
    },
            
1920
    {
            
1921
      "cache_last_updated": null,
            
1922
      "cache_url": null,
            
1923
      "created": "2023-02-23T03:38:43.017667",
            
1924
      "description": null,
            
1925
      "format": "gro",
            
1926
      "hash": "",
            
1927
      "id": "58bfd584-57c0-4f63-8485-427e9b18ed26",
            
1928
      "last_modified": null,
            
1929
      "metadata_modified": "2023-02-23T03:38:42.975906",
            
1930
      "mimetype": null,
            
1931
      "mimetype_inner": null,
            
1932
      "name": 
            
1933
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00010.gro",
            
1934
      "owner_org": "mduq",
            
1935
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1936
      "position": 75,
            
1937
      "resource_type": "final-coordinates",
            
1938
      "run": 10,
            
1939
      "size": 4430396,
            
1940
      "state": "active",
            
1941
      "url": 
            
1942
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00010.gro",
            
1943
      "url_type": null
            
1944
    },
            
1945
    {
            
1946
      "cache_last_updated": null,
            
1947
      "cache_url": null,
            
1948
      "created": "2023-02-23T03:38:43.017668",
            
1949
      "description": null,
            
1950
      "format": "gro",
            
1951
      "hash": "",
            
1952
      "id": "d68862fb-248b-4be8-b788-3afbb220d7ad",
            
1953
      "last_modified": null,
            
1954
      "metadata_modified": "2023-02-23T03:38:42.976015",
            
1955
      "mimetype": null,
            
1956
      "mimetype_inner": null,
            
1957
      "name": 
            
1958
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00010.gro",
            
1959
      "owner_org": "mduq",
            
1960
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1961
      "position": 76,
            
1962
      "resource_type": "restraints",
            
1963
      "run": 10,
            
1964
      "size": 4430396,
            
1965
      "state": "active",
            
1966
      "url": 
            
1967
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00010.gro",
            
1968
      "url_type": null
            
1969
    },
            
1970
    {
            
1971
      "cache_last_updated": null,
            
1972
      "cache_url": null,
            
1973
      "created": "2023-02-23T03:38:43.017670",
            
1974
      "description": null,
            
1975
      "format": "mdp",
            
1976
      "hash": "",
            
1977
      "id": "7d360304-a9c4-4a63-8c9c-2cd4defb048b",
            
1978
      "last_modified": null,
            
1979
      "metadata_modified": "2023-02-23T03:38:42.976126",
            
1980
      "mimetype": null,
            
1981
      "mimetype_inner": null,
            
1982
      "name": 
            
1983
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00011.mdp",
            
1984
      "owner_org": "mduq",
            
1985
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
1986
      "position": 77,
            
1987
      "resource_type": "control",
            
1988
      "run": 11,
            
1989
      "size": 1741,
            
1990
      "state": "active",
            
1991
      "url": 
            
1992
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00011.mdp",
            
1993
      "url_type": null
            
1994
    },
            
1995
    {
            
1996
      "cache_last_updated": null,
            
1997
      "cache_url": null,
            
1998
      "created": "2023-02-23T03:38:43.017672",
            
1999
      "description": null,
            
2000
      "format": "tpr",
            
2001
      "hash": "",
            
2002
      "id": "8e78fe41-593b-4534-b933-f39c3cea9ce2",
            
2003
      "last_modified": null,
            
2004
      "metadata_modified": "2023-02-23T03:38:42.976236",
            
2005
      "mimetype": null,
            
2006
      "mimetype_inner": null,
            
2007
      "name": 
            
2008
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00011.tpr",
            
2009
      "owner_org": "mduq",
            
2010
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2011
      "position": 78,
            
2012
      "resource_type": "forcefield-files",
            
2013
      "run": 11,
            
2014
      "size": 2731680,
            
2015
      "state": "active",
            
2016
      "url": 
            
2017
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00011.tpr",
            
2018
      "url_type": null
            
2019
    },
            
2020
    {
            
2021
      "cache_last_updated": null,
            
2022
      "cache_url": null,
            
2023
      "created": "2023-02-23T03:38:43.017673",
            
2024
      "description": null,
            
2025
      "format": "gro",
            
2026
      "hash": "",
            
2027
      "id": "d0bb40e4-b393-4151-90fa-ac5da6f618a5",
            
2028
      "last_modified": null,
            
2029
      "metadata_modified": "2023-02-23T03:38:42.976346",
            
2030
      "mimetype": null,
            
2031
      "mimetype_inner": null,
            
2032
      "name": 
            
2033
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00011.gro",
            
2034
      "owner_org": "mduq",
            
2035
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2036
      "position": 79,
            
2037
      "resource_type": "input-coordinates",
            
2038
      "run": 11,
            
2039
      "size": 4430396,
            
2040
      "state": "active",
            
2041
      "url": 
            
2042
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00011.gro",
            
2043
      "url_type": null
            
2044
    },
            
2045
    {
            
2046
      "cache_last_updated": null,
            
2047
      "cache_url": null,
            
2048
      "created": "2023-02-23T03:38:43.017675",
            
2049
      "description": null,
            
2050
      "format": "log",
            
2051
      "hash": "",
            
2052
      "id": "5fbae97b-ba8c-4ba8-924c-fe04f0a87ed6",
            
2053
      "last_modified": null,
            
2054
      "metadata_modified": "2023-02-23T03:38:42.976467",
            
2055
      "mimetype": null,
            
2056
      "mimetype_inner": null,
            
2057
      "name": 
            
2058
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00011.log",
            
2059
      "owner_org": "mduq",
            
2060
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2061
      "position": 80,
            
2062
      "resource_type": "log",
            
2063
      "run": 11,
            
2064
      "size": 58218714,
            
2065
      "state": "active",
            
2066
      "url": 
            
2067
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00011.log",
            
2068
      "url_type": null
            
2069
    },
            
2070
    {
            
2071
      "cache_last_updated": null,
            
2072
      "cache_url": null,
            
2073
      "created": "2023-02-23T03:38:43.017676",
            
2074
      "description": null,
            
2075
      "format": "edr",
            
2076
      "hash": "",
            
2077
      "id": "5ded15c5-a807-448b-8e9a-7ed8068721fc",
            
2078
      "last_modified": null,
            
2079
      "metadata_modified": "2023-02-23T03:38:42.976577",
            
2080
      "mimetype": null,
            
2081
      "mimetype_inner": null,
            
2082
      "name": 
            
2083
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00011.edr",
            
2084
      "owner_org": "mduq",
            
2085
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2086
      "position": 81,
            
2087
      "resource_type": "energy",
            
2088
      "run": 11,
            
2089
      "size": 48803460,
            
2090
      "state": "active",
            
2091
      "url": 
            
2092
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00011.edr",
            
2093
      "url_type": null
            
2094
    },
            
2095
    {
            
2096
      "cache_last_updated": null,
            
2097
      "cache_url": null,
            
2098
      "created": "2023-02-23T03:38:43.017678",
            
2099
      "description": null,
            
2100
      "format": "gro",
            
2101
      "hash": "",
            
2102
      "id": "98e6e74a-7046-4043-8ef3-82a21788929f",
            
2103
      "last_modified": null,
            
2104
      "metadata_modified": "2023-02-23T03:38:42.976686",
            
2105
      "mimetype": null,
            
2106
      "mimetype_inner": null,
            
2107
      "name": 
            
2108
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00011.gro",
            
2109
      "owner_org": "mduq",
            
2110
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2111
      "position": 82,
            
2112
      "resource_type": "final-coordinates",
            
2113
      "run": 11,
            
2114
      "size": 4430396,
            
2115
      "state": "active",
            
2116
      "url": 
            
2117
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00011.gro",
            
2118
      "url_type": null
            
2119
    },
            
2120
    {
            
2121
      "cache_last_updated": null,
            
2122
      "cache_url": null,
            
2123
      "created": "2023-02-23T03:38:43.017679",
            
2124
      "description": null,
            
2125
      "format": "gro",
            
2126
      "hash": "",
            
2127
      "id": "f053783b-86ef-4a08-9a7e-ecc743b592f9",
            
2128
      "last_modified": null,
            
2129
      "metadata_modified": "2023-02-23T03:38:42.976796",
            
2130
      "mimetype": null,
            
2131
      "mimetype_inner": null,
            
2132
      "name": 
            
2133
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00011.gro",
            
2134
      "owner_org": "mduq",
            
2135
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2136
      "position": 83,
            
2137
      "resource_type": "restraints",
            
2138
      "run": 11,
            
2139
      "size": 4430396,
            
2140
      "state": "active",
            
2141
      "url": 
            
2142
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00011.gro",
            
2143
      "url_type": null
            
2144
    },
            
2145
    {
            
2146
      "cache_last_updated": null,
            
2147
      "cache_url": null,
            
2148
      "created": "2023-02-23T03:38:43.017681",
            
2149
      "description": null,
            
2150
      "format": "mdp",
            
2151
      "hash": "",
            
2152
      "id": "b6493440-fe7c-4c4e-8f2c-90bc619a43f3",
            
2153
      "last_modified": null,
            
2154
      "metadata_modified": "2023-02-23T03:38:42.976905",
            
2155
      "mimetype": null,
            
2156
      "mimetype_inner": null,
            
2157
      "name": 
            
2158
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00012.mdp",
            
2159
      "owner_org": "mduq",
            
2160
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2161
      "position": 84,
            
2162
      "resource_type": "control",
            
2163
      "run": 12,
            
2164
      "size": 1741,
            
2165
      "state": "active",
            
2166
      "url": 
            
2167
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00012.mdp",
            
2168
      "url_type": null
            
2169
    },
            
2170
    {
            
2171
      "cache_last_updated": null,
            
2172
      "cache_url": null,
            
2173
      "created": "2023-02-23T03:38:43.017682",
            
2174
      "description": null,
            
2175
      "format": "tpr",
            
2176
      "hash": "",
            
2177
      "id": "5459adb6-e30f-4e49-8018-e825bd73e5fd",
            
2178
      "last_modified": null,
            
2179
      "metadata_modified": "2023-02-23T03:38:42.977014",
            
2180
      "mimetype": null,
            
2181
      "mimetype_inner": null,
            
2182
      "name": 
            
2183
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00012.tpr",
            
2184
      "owner_org": "mduq",
            
2185
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2186
      "position": 85,
            
2187
      "resource_type": "forcefield-files",
            
2188
      "run": 12,
            
2189
      "size": 2731680,
            
2190
      "state": "active",
            
2191
      "url": 
            
2192
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00012.tpr",
            
2193
      "url_type": null
            
2194
    },
            
2195
    {
            
2196
      "cache_last_updated": null,
            
2197
      "cache_url": null,
            
2198
      "created": "2023-02-23T03:38:43.017684",
            
2199
      "description": null,
            
2200
      "format": "gro",
            
2201
      "hash": "",
            
2202
      "id": "ec23a232-1c55-465b-9ed3-37f966b22612",
            
2203
      "last_modified": null,
            
2204
      "metadata_modified": "2023-02-23T03:38:42.977125",
            
2205
      "mimetype": null,
            
2206
      "mimetype_inner": null,
            
2207
      "name": 
            
2208
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00012.gro",
            
2209
      "owner_org": "mduq",
            
2210
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2211
      "position": 86,
            
2212
      "resource_type": "input-coordinates",
            
2213
      "run": 12,
            
2214
      "size": 4430396,
            
2215
      "state": "active",
            
2216
      "url": 
            
2217
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00012.gro",
            
2218
      "url_type": null
            
2219
    },
            
2220
    {
            
2221
      "cache_last_updated": null,
            
2222
      "cache_url": null,
            
2223
      "created": "2023-02-23T03:38:43.017686",
            
2224
      "description": null,
            
2225
      "format": "log",
            
2226
      "hash": "",
            
2227
      "id": "e0c6fe24-8a09-4cf3-bded-4d22b89651e4",
            
2228
      "last_modified": null,
            
2229
      "metadata_modified": "2023-02-23T03:38:42.977235",
            
2230
      "mimetype": null,
            
2231
      "mimetype_inner": null,
            
2232
      "name": 
            
2233
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00012.log",
            
2234
      "owner_org": "mduq",
            
2235
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2236
      "position": 87,
            
2237
      "resource_type": "log",
            
2238
      "run": 12,
            
2239
      "size": 58219090,
            
2240
      "state": "active",
            
2241
      "url": 
            
2242
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00012.log",
            
2243
      "url_type": null
            
2244
    },
            
2245
    {
            
2246
      "cache_last_updated": null,
            
2247
      "cache_url": null,
            
2248
      "created": "2023-02-23T03:38:43.017687",
            
2249
      "description": null,
            
2250
      "format": "edr",
            
2251
      "hash": "",
            
2252
      "id": "a9fb794d-7b6e-4161-ab37-b8cdac788c5e",
            
2253
      "last_modified": null,
            
2254
      "metadata_modified": "2023-02-23T03:38:42.977345",
            
2255
      "mimetype": null,
            
2256
      "mimetype_inner": null,
            
2257
      "name": 
            
2258
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00012.edr",
            
2259
      "owner_org": "mduq",
            
2260
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2261
      "position": 88,
            
2262
      "resource_type": "energy",
            
2263
      "run": 12,
            
2264
      "size": 48803460,
            
2265
      "state": "active",
            
2266
      "url": 
            
2267
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00012.edr",
            
2268
      "url_type": null
            
2269
    },
            
2270
    {
            
2271
      "cache_last_updated": null,
            
2272
      "cache_url": null,
            
2273
      "created": "2023-02-23T03:38:43.017689",
            
2274
      "description": null,
            
2275
      "format": "gro",
            
2276
      "hash": "",
            
2277
      "id": "3582cfbb-1e2e-4e07-b749-eeda3104fdfe",
            
2278
      "last_modified": null,
            
2279
      "metadata_modified": "2023-02-23T03:38:42.977454",
            
2280
      "mimetype": null,
            
2281
      "mimetype_inner": null,
            
2282
      "name": 
            
2283
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00012.gro",
            
2284
      "owner_org": "mduq",
            
2285
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2286
      "position": 89,
            
2287
      "resource_type": "final-coordinates",
            
2288
      "run": 12,
            
2289
      "size": 4430396,
            
2290
      "state": "active",
            
2291
      "url": 
            
2292
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00012.gro",
            
2293
      "url_type": null
            
2294
    },
            
2295
    {
            
2296
      "cache_last_updated": null,
            
2297
      "cache_url": null,
            
2298
      "created": "2023-02-23T03:38:43.017690",
            
2299
      "description": null,
            
2300
      "format": "gro",
            
2301
      "hash": "",
            
2302
      "id": "b6733291-e376-4812-a495-9fcc5c95ec32",
            
2303
      "last_modified": null,
            
2304
      "metadata_modified": "2023-02-23T03:38:42.977563",
            
2305
      "mimetype": null,
            
2306
      "mimetype_inner": null,
            
2307
      "name": 
            
2308
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00012.gro",
            
2309
      "owner_org": "mduq",
            
2310
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2311
      "position": 90,
            
2312
      "resource_type": "restraints",
            
2313
      "run": 12,
            
2314
      "size": 4430396,
            
2315
      "state": "active",
            
2316
      "url": 
            
2317
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00012.gro",
            
2318
      "url_type": null
            
2319
    },
            
2320
    {
            
2321
      "cache_last_updated": null,
            
2322
      "cache_url": null,
            
2323
      "created": "2023-02-23T03:38:43.017692",
            
2324
      "description": null,
            
2325
      "format": "mdp",
            
2326
      "hash": "",
            
2327
      "id": "f78ede25-2b6c-4bfb-8731-24ef6dceca0a",
            
2328
      "last_modified": null,
            
2329
      "metadata_modified": "2023-02-23T03:38:42.977714",
            
2330
      "mimetype": null,
            
2331
      "mimetype_inner": null,
            
2332
      "name": 
            
2333
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00013.mdp",
            
2334
      "owner_org": "mduq",
            
2335
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2336
      "position": 91,
            
2337
      "resource_type": "control",
            
2338
      "run": 13,
            
2339
      "size": 1741,
            
2340
      "state": "active",
            
2341
      "url": 
            
2342
P_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_control_00013.mdp",
            
2343
      "url_type": null
            
2344
    },
            
2345
    {
            
2346
      "cache_last_updated": null,
            
2347
      "cache_url": null,
            
2348
      "created": "2023-02-23T03:38:43.017693",
            
2349
      "description": null,
            
2350
      "format": "tpr",
            
2351
      "hash": "",
            
2352
      "id": "a79490ed-a26d-48df-8b19-80d501bce829",
            
2353
      "last_modified": null,
            
2354
      "metadata_modified": "2023-02-23T03:38:42.977831",
            
2355
      "mimetype": null,
            
2356
      "mimetype_inner": null,
            
2357
      "name": 
            
2358
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00013.tpr",
            
2359
      "owner_org": "mduq",
            
2360
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2361
      "position": 92,
            
2362
      "resource_type": "forcefield-files",
            
2363
      "run": 13,
            
2364
      "size": 2731680,
            
2365
      "state": "active",
            
2366
      "url": 
            
2367
cac_vacuum-deposited-thinfilm_replicate-1_forcefield-files_00013.tpr",
            
2368
      "url_type": null
            
2369
    },
            
2370
    {
            
2371
      "cache_last_updated": null,
            
2372
      "cache_url": null,
            
2373
      "created": "2023-02-23T03:38:43.017695",
            
2374
      "description": null,
            
2375
      "format": "gro",
            
2376
      "hash": "",
            
2377
      "id": "e9031830-74fc-4d1e-802d-484daa7dc56f",
            
2378
      "last_modified": null,
            
2379
      "metadata_modified": "2023-02-23T03:38:42.977940",
            
2380
      "mimetype": null,
            
2381
      "mimetype_inner": null,
            
2382
      "name": 
            
2383
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00013.gro",
            
2384
      "owner_org": "mduq",
            
2385
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2386
      "position": 93,
            
2387
      "resource_type": "input-coordinates",
            
2388
      "run": 13,
            
2389
      "size": 4430396,
            
2390
      "state": "active",
            
2391
      "url": 
            
2392
ac_vacuum-deposited-thinfilm_replicate-1_input-coordinates_00013.gro",
            
2393
      "url_type": null
            
2394
    },
            
2395
    {
            
2396
      "cache_last_updated": null,
            
2397
      "cache_url": null,
            
2398
      "created": "2023-02-23T03:38:43.017696",
            
2399
      "description": null,
            
2400
      "format": "log",
            
2401
      "hash": "",
            
2402
      "id": "e4f9e835-5040-4ba3-a159-d4a47e1e4207",
            
2403
      "last_modified": null,
            
2404
      "metadata_modified": "2023-02-23T03:38:42.978050",
            
2405
      "mimetype": null,
            
2406
      "mimetype_inner": null,
            
2407
      "name": 
            
2408
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00013.log",
            
2409
      "owner_org": "mduq",
            
2410
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2411
      "position": 94,
            
2412
      "resource_type": "log",
            
2413
      "run": 13,
            
2414
      "size": 58219089,
            
2415
      "state": "active",
            
2416
      "url": 
            
2417
n_CBP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_log_00013.log",
            
2418
      "url_type": null
            
2419
    },
            
2420
    {
            
2421
      "cache_last_updated": null,
            
2422
      "cache_url": null,
            
2423
      "created": "2023-02-23T03:38:43.017697",
            
2424
      "description": null,
            
2425
      "format": "edr",
            
2426
      "hash": "",
            
2427
      "id": "2680bcb6-6df3-4798-b02b-bfcc92a37c36",
            
2428
      "last_modified": null,
            
2429
      "metadata_modified": "2023-02-23T03:38:42.978159",
            
2430
      "mimetype": null,
            
2431
      "mimetype_inner": null,
            
2432
      "name": 
            
2433
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00013.edr",
            
2434
      "owner_org": "mduq",
            
2435
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2436
      "position": 95,
            
2437
      "resource_type": "energy",
            
2438
      "run": 13,
            
2439
      "size": 48803460,
            
2440
      "state": "active",
            
2441
      "url": 
            
2442
BP_Irppy2acac_vacuum-deposited-thinfilm_replicate-1_energy_00013.edr",
            
2443
      "url_type": null
            
2444
    },
            
2445
    {
            
2446
      "cache_last_updated": null,
            
2447
      "cache_url": null,
            
2448
      "created": "2023-02-23T03:38:43.017699",
            
2449
      "description": null,
            
2450
      "format": "gro",
            
2451
      "hash": "",
            
2452
      "id": "97458115-2b84-48c8-a4cd-13b75e33600f",
            
2453
      "last_modified": null,
            
2454
      "metadata_modified": "2023-02-23T03:38:42.978271",
            
2455
      "mimetype": null,
            
2456
      "mimetype_inner": null,
            
2457
      "name": 
            
2458
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00013.gro",
            
2459
      "owner_org": "mduq",
            
2460
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2461
      "position": 96,
            
2462
      "resource_type": "final-coordinates",
            
2463
      "run": 13,
            
2464
      "size": 4430396,
            
2465
      "state": "active",
            
2466
      "url": 
            
2467
ac_vacuum-deposited-thinfilm_replicate-1_final-coordinates_00013.gro",
            
2468
      "url_type": null
            
2469
    },
            
2470
    {
            
2471
      "cache_last_updated": null,
            
2472
      "cache_url": null,
            
2473
      "created": "2023-02-23T03:38:43.017701",
            
2474
      "description": null,
            
2475
      "format": "gro",
            
2476
      "hash": "",
            
2477
      "id": "87ecd31d-faca-4a91-a864-e16e594f903a",
            
2478
      "last_modified": null,
            
2479
      "metadata_modified": "2023-02-23T03:38:42.978380",
            
2480
      "mimetype": null,
            
2481
      "mimetype_inner": null,
            
2482
      "name": 
            
2483
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00013.gro",
            
2484
      "owner_org": "mduq",
            
2485
      "package_id": "f800eca4-88c7-498f-abb9-c6625b1d8024",
            
2486
      "position": 97,
            
2487
      "resource_type": "restraints",
            
2488
      "run": 13,
            
2489
      "size": 4430396,
            
2490
      "state": "active",
            
2491
      "url": 
            
2492
rppy2acac_vacuum-deposited-thinfilm_replicate-1_restraints_00013.gro",
            
2493
      "url_type": null
            
2494
    }
            
2495
  ],
            
48
  "state": "active",
2496
  "state": "active",
            
t
49
  "tags": [],
t
2497
  "tags": [
            
50
  "title": 
2498
    {
            
51
water-diffusion_cbp_irppy2acac_vacuum-deposited-thinfilm_replicate-1",
2499
      "display_name": "54A7",
            
2500
      "id": "186c2258-e1ec-4d82-943e-14c6c00ec855",
            
2501
      "name": "54A7",
            
2502
      "state": "active",
            
2503
      "vocabulary_id": null
            
2504
    },
            
2505
    {
            
2506
      "display_name": "CBP",
            
2507
      "id": "5fa41c5e-5a4e-41f3-9388-a76269db2c27",
            
2508
      "name": "CBP",
            
2509
      "state": "active",
            
2510
      "vocabulary_id": null
            
2511
    },
            
2512
    {
            
2513
      "display_name": "GROMOS",
            
2514
      "id": "9bb1d329-8f1c-4912-b4bf-e8a60edb401b",
            
2515
      "name": "GROMOS",
            
2516
      "state": "active",
            
2517
      "vocabulary_id": null
            
2518
    },
            
2519
    {
            
2520
      "display_name": "Irppy2acac",
            
2521
      "id": "7df24153-40a3-4882-9fd5-459ac9d2ac82",
            
2522
      "name": "Irppy2acac",
            
2523
      "state": "active",
            
2524
      "vocabulary_id": null
            
2525
    },
            
2526
    {
            
2527
      "display_name": "No. atoms at least 10000",
            
2528
      "id": "dc8da662-312e-4520-88fc-27229dffb7d2",
            
2529
      "name": "No. atoms at least 10000",
            
2530
      "state": "active",
            
2531
      "vocabulary_id": null
            
2532
    },
            
2533
    {
            
2534
      "display_name": "Simulation time at least 100 ns",
            
2535
      "id": "68e453c9-4610-4e61-a4b4-ce55c7a72f46",
            
2536
      "name": "Simulation time at least 100 ns",
            
2537
      "state": "active",
            
2538
      "vocabulary_id": null
            
2539
    },
            
2540
    {
            
2541
      "display_name": "Temperature 300-310 K",
            
2542
      "id": "3329bd7a-f086-445b-872a-fbce5a17c0fd",
            
2543
      "name": "Temperature 300-310 K",
            
2544
      "state": "active",
            
2545
      "vocabulary_id": null
            
2546
    },
            
2547
    {
            
2548
      "display_name": "diffusion",
            
2549
      "id": "649765c8-5fa9-403f-bf2e-94ccfc23c751",
            
2550
      "name": "diffusion",
            
2551
      "state": "active",
            
2552
      "vocabulary_id": null
            
2553
    },
            
2554
    {
            
2555
      "display_name": "organic thin film",
            
2556
      "id": "7e5c6b65-047e-44e5-9222-a0fda515f341",
            
2557
      "name": "organic thin film",
            
2558
      "state": "active",
            
2559
      "vocabulary_id": null
            
2560
    },
            
2561
    {
            
2562
      "display_name": "thermostat is Berendsen",
            
2563
      "id": "4fb82905-f20b-444e-9ba9-93e5d793c273",
            
2564
      "name": "thermostat is Berendsen",
            
2565
      "state": "active",
            
2566
      "vocabulary_id": null
            
2567
    },
            
2568
    {
            
2569
      "display_name": "vacuum deposited",
            
2570
      "id": "90e84e01-ff56-4904-a821-3728b3ab6df0",
            
2571
      "name": "vacuum deposited",
            
2572
      "state": "active",
            
2573
      "vocabulary_id": null
            
2574
    },
            
2575
    {
            
2576
      "display_name": "water",
            
2577
      "id": "fd76981a-3658-4d9e-abb9-72c02a0dca88",
            
2578
      "name": "water",
            
2579
      "state": "active",
            
2580
      "vocabulary_id": null
            
2581
    }
            
2582
  ],
            
2583
  "title": "Water diffusion in a vacuum deposited 6wt% 
            
2584
Ir(ppy)2(acac):CBP organic thinfilm (replicate 1 of 3)",
            
52
  "type": "dataset",
2585
  "type": "dataset",
            
53
  "url": null,
2586
  "url": null,
            
54
  "version": null
2587
  "version": null
            
55
}
2588
}