{
"property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed"
"instance-id" 1
"species" {
"source-value" [
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
"Si"
]
}
"unrelaxed-periodic-cell-vector-1" {
"source-unit" "angstrom"
"source-value" [
10.6701701
0
0
]
"si-unit" "m"
"si-value" [
1.06701701e-09
0.0
0.0
]
}
"unrelaxed-periodic-cell-vector-2" {
"source-unit" "angstrom"
"source-value" [
0
10.6701701
0
]
"si-unit" "m"
"si-value" [
0.0
1.06701701e-09
0.0
]
}
"unrelaxed-periodic-cell-vector-3" {
"source-unit" "angstrom"
"source-value" [
0
0
10.6701701
]
"si-unit" "m"
"si-value" [
0.0
0.0
1.06701701e-09
]
}
"unrelaxed-configuration-positions" {
"source-value" [
[
1.5592951
1.9794121
2.2696171
]
[
4.786856100000001
2.2212181
0.01705
]
[
0.1437485
3.4407191
1.1797641
]
[
5.3925311
3.8378731
1.6815471
]
[
2.2998621
1.9395301
5.324194100000001
]
[
0.732897
0.3566806
4.7274141
]
[
3.7197951
3.1867261
3.989981100000001
]
[
4.2013841
0.1586136
7.4664321
]
[
2.9084461
2.0645931
7.5867061
]
[
0.6038844
3.5337741
5.5353541
]
[
4.8702701
3.2787761
7.3412221
]
[
3.8538651
4.6818861
5.7708931
]
[
2.6460151
1.6115221
9.892104100000001
]
[
2.0877551
3.9072891
10.3712801
]
[
4.3947391
4.2249951
9.4168251
]
[
0.8560414
7.288648100000001
2.2050211
]
[
2.3117611
5.7574271
1.1775341
]
[
4.594337100000001
6.0917371
1.3322041
]
[
2.0619201
10.4149201
1.7177691
]
[
4.5687061
7.433829100000001
3.2620921
]
[
2.4502981
8.608763100000001
3.2225631
]
[
4.8159631
10.7601101
3.2415071
]
[
4.3761031
9.7722751
5.4178001
]
[
0.7410177
7.1236831
5.4994591
]
[
2.3232711
6.0661001
6.9438151
]
[
1.9766151
9.1822371
5.541502100000001
]
[
2.5505321
9.2943721
7.9840941
]
[
1.9249821
7.0248011
9.9254501
]
[
0.9806991
5.2597391
8.7116671
]
[
4.0200641
7.4664971
7.8649491
]
[
5.2317821
7.2608791
9.9773801
]
[
3.0065501
9.9652601
10.2609701
]
[
6.0954661
0.4184692
1.2389151
]
[
9.8470151
1.5180311
2.2011311
]
[
7.5221141
3.6788041
0.6291426999999999
]
[
5.6199621
1.9093231
4.4538971
]
[
9.6933551
1.7619481
5.4575951
]
[
7.7867751
5.1230431
5.2396631
]
[
8.6468401
3.1102601
3.8033081
]
[
10.5189101
4.412778100000001
3.3683691
]
[
6.6717541
1.9193681
6.5848851
]
[
8.1455591
3.2721591
7.7920431
]
[
10.3564401
2.5753501
7.5693381
]
[
6.4255111
0.2784291
8.388679100000001
]
[
7.7754071
1.8896471
9.6269621
]
[
9.6213571
0.6473222
8.7374831
]
[
7.6349061
7.0054151
1.6158971
]
[
7.856842100000001
9.3634861
1.4108211
]
[
10.7662301
8.1559701
0.1797261
]
[
10.7064301
10.4591601
0.6209655
]
[
5.5690371
5.9814211
4.8795761
]
[
9.5052611
6.542518100000001
3.0084401
]
[
6.159315100000001
8.9873381
4.0532111
]
[
9.734138100000001
9.8536241
2.6557041
]
[
5.7349191
7.9339821
6.2109331
]
[
7.5031051
5.5021871
7.5420981
]
[
8.9833401
7.2244821
5.2039371
]
[
8.3490471
9.8787611
7.3967521
]
[
10.0527201
8.2112591
7.1365131
]
[
6.5796961
5.2517281
9.7027281
]
[
9.4849571
6.3649191
8.5139271
]
[
8.4927911
7.9724951
10.1767901
]
[
8.7911961
5.6284261
10.7231901
]
[
5.3296281
9.6713601
10.2021401
]
]
"source-unit" "angstrom"
"si-unit" "m"
"si-value" [
[
1.5592950999999999e-10
1.9794121e-10
2.2696171e-10
]
[
4.786856100000001e-10
2.2212181000000003e-10
1.705e-12
]
[
1.4374850000000001e-11
3.4407191e-10
1.1797641000000002e-10
]
[
5.392531100000001e-10
3.8378731e-10
1.6815471e-10
]
[
2.2998621e-10
1.9395301e-10
5.324194100000001e-10
]
[
7.328970000000001e-11
3.566806e-11
4.7274141e-10
]
[
3.7197951e-10
3.1867261e-10
3.9899811000000013e-10
]
[
4.2013841000000006e-10
1.586136e-11
7.466432099999999e-10
]
[
2.9084461e-10
2.0645931000000003e-10
7.586706100000001e-10
]
[
6.038844e-11
3.5337741e-10
5.535354100000001e-10
]
[
4.8702701e-10
3.2787761e-10
7.341222100000001e-10
]
[
3.8538651e-10
4.6818861e-10
5.7708931e-10
]
[
2.6460151e-10
1.6115221e-10
9.892104100000001e-10
]
[
2.0877550999999998e-10
3.9072891e-10
1.03712801e-09
]
[
4.3947391e-10
4.2249951000000003e-10
9.4168251e-10
]
[
8.560413999999999e-11
7.288648100000001e-10
2.2050211000000003e-10
]
[
2.3117611000000001e-10
5.7574271e-10
1.1775341e-10
]
[
4.5943371000000007e-10
6.0917371e-10
1.3322041e-10
]
[
2.0619201e-10
1.04149201e-09
1.7177691e-10
]
[
4.5687061e-10
7.433829100000002e-10
3.2620921e-10
]
[
2.4502981e-10
8.608763100000001e-10
3.2225631e-10
]
[
4.815963100000001e-10
1.07601101e-09
3.2415071e-10
]
[
4.3761031e-10
9.7722751e-10
5.4178001e-10
]
[
7.410177000000001e-11
7.1236831e-10
5.4994591e-10
]
[
2.3232711e-10
6.0661001e-10
6.9438151e-10
]
[
1.9766151000000002e-10
9.1822371e-10
5.541502100000001e-10
]
[
2.5505321e-10
9.2943721e-10
7.9840941e-10
]
[
1.9249821000000002e-10
7.0248011e-10
9.925450100000002e-10
]
[
9.806991e-11
5.2597391e-10
8.7116671e-10
]
[
4.0200641e-10
7.466497100000001e-10
7.8649491e-10
]
[
5.2317821e-10
7.2608791e-10
9.9773801e-10
]
[
3.0065501000000003e-10
9.9652601e-10
1.02609701e-09
]
[
6.0954661e-10
4.184692e-11
1.2389151e-10
]
[
9.8470151e-10
1.5180311e-10
2.2011311e-10
]
[
7.5221141e-10
3.6788041e-10
6.291427e-11
]
[
5.619962100000001e-10
1.9093231e-10
4.4538971e-10
]
[
9.6933551e-10
1.7619480999999999e-10
5.4575951e-10
]
[
7.7867751e-10
5.1230431e-10
5.2396631e-10
]
[
8.6468401e-10
3.1102601e-10
3.8033081e-10
]
[
1.05189101e-09
4.4127781000000007e-10
3.3683691e-10
]
[
6.671754100000001e-10
1.9193681000000002e-10
6.5848851e-10
]
[
8.1455591e-10
3.2721591e-10
7.7920431e-10
]
[
1.03564401e-09
2.5753501e-10
7.569338100000001e-10
]
[
6.4255111e-10
2.784291e-11
8.388679100000001e-10
]
[
7.7754071e-10
1.8896471e-10
9.6269621e-10
]
[
9.6213571e-10
6.473222e-11
8.7374831e-10
]
[
7.6349061e-10
7.005415099999999e-10
1.6158971e-10
]
[
7.856842100000001e-10
9.3634861e-10
1.4108211e-10
]
[
1.07662301e-09
8.1559701e-10
1.797261e-11
]
[
1.0706430100000001e-09
1.04591601e-09
6.209655e-11
]
[
5.5690371e-10
5.981421100000001e-10
4.8795761e-10
]
[
9.5052611e-10
6.542518100000001e-10
3.0084401e-10
]
[
6.159315100000001e-10
8.987338100000001e-10
4.0532111000000004e-10
]
[
9.7341381e-10
9.8536241e-10
2.6557041e-10
]
[
5.7349191e-10
7.9339821e-10
6.2109331e-10
]
[
7.503105100000001e-10
5.5021871e-10
7.5420981e-10
]
[
8.9833401e-10
7.2244821e-10
5.2039371e-10
]
[
8.349047100000001e-10
9.878761100000002e-10
7.3967521e-10
]
[
1.00527201e-09
8.2112591e-10
7.136513100000001e-10
]
[
6.5796961e-10
5.251728100000001e-10
9.702728100000001e-10
]
[
9.4849571e-10
6.3649191e-10
8.513927100000001e-10
]
[
8.492791100000001e-10
7.9724951e-10
1.01767901e-09
]
[
8.791196100000001e-10
5.6284261e-10
1.07231901e-09
]
[
5.3296281e-10
9.6713601e-10
1.02021401e-09
]
]
}
"unrelaxed-configuration-forces" {
"source-value" [
[
0.87266
-0.2834019
0.7335501
]
[
0.5649993
-0.0302333
1.1560191
]
[
-0.0311049
0.5300276
-0.2514585
]
[
-0.810355
-0.5590633
0.9538767
]
[
0.098852
0.1865807
-0.0848197
]
[
-0.4400187
-0.8139671
-0.2119892
]
[
0.2961243
0.1333727
-1.3587676
]
[
0.393479
0.1350411
0.0467538
]
[
-0.2229127
-0.3863409
0.0938334
]
[
0.3183685
1.3084142
0.204126
]
[
-0.5596524
0.3718338
-0.4477773
]
[
0.3510378
0.7668215
-0.2248734
]
[
-0.1921759
0.3418292
0.2003191
]
[
0.0417405
-0.3111886
-0.7295349
]
[
-0.1767231
-0.0166561
0.4433577
]
[
-0.2487355
-0.4514487
0.435342
]
[
0.0843435
-0.105772
-0.115516
]
[
0.3549841
0.1903963
0.2483347
]
[
1.3957301
-0.0882672
0.5434414
]
[
0.0003885
-0.3265416
-0.2682248
]
[
0.3757883
0.0990649
-0.0187814
]
[
0.6748658
0.2356524
-0.58014
]
[
0.1314136
0.1088578
0.1368844
]
[
0.5051355
0.1259947
0.7780155
]
[
0.1792963
-0.7950741
-0.4853255
]
[
0.3259606
-0.1096998
-0.448209
]
[
-0.40401
-0.7352329
0.3392032
]
[
0.1020494
0.4715423
-0.7824344
]
[
-0.3599567
0.1506108
-0.4776755
]
[
0.1025644
-0.3004481
0.3445584
]
[
0.1461849
-0.2644608
0.1232365
]
[
0.0142805
-0.2469242
-0.2140169
]
[
-0.5595211
-0.469761
-0.3535493
]
[
-1.2322704
0.3422109
-0.2903401
]
[
0.7182818
-0.0277115
-0.0112316
]
[
0.743357
0.3351811
-0.4510588
]
[
-1.043612
-0.3615017
0.0445078
]
[
-0.4553747
0.1165819
-0.5292055
]
[
-1.5309136
-0.4581168
0.2834666
]
[
0.2669403
0.3893264
0.3150171
]
[
0.0724658
0.057835
-0.2366655
]
[
0.1672137
0.0223634
0.1049762
]
[
0.8129001
0.3335256
-0.0392893
]
[
-0.4458633
-0.337102
-0.4554208
]
[
-0.0311046
0.0760221
0.9484985
]
[
0.742272
-0.5843931
1.0187397
]
[
0.0207826
0.3609172
0.3195251
]
[
-1.515139
0.3280721
0.265126
]
[
-0.0595146
0.212308
-0.3863184
]
[
-0.9953096
0.5305713
-1.3940637
]
[
-0.0351751
-0.0856027
0.062349
]
[
-0.0190966
0.2051831
0.0459726
]
[
1.0786004
-0.1203172
-0.5573417
]
[
0.0973021
0.6184372
1.2921735
]
[
0.3041724
3.88e-05
0.4570983
]
[
0.2336395
0.01137
-0.039226
]
[
-0.3716118
-0.3708323
-0.1023361
]
[
0.0471027
-0.1491137
0.1955068
]
[
-0.9594392
-0.1253798
0.1920188
]
[
-0.7231566
0.5316165
-0.4060361
]
[
0.34304
-0.4335792
-0.2584136
]
[
-0.1260138
1.2235488
-0.1764774
]
[
0.3931
-1.397759
0.1449687
]
[
0.1773435
-0.105259
-0.0842783
]
]
"source-unit" "eV/angstrom"
"si-unit" "kg m / s^2"
"si-value" [
[
1.39815546142644e-09
-4.540599022112046e-10
1.1752768300883634e-09
]
[
9.052286766863561e-10
-4.84390868287122e-11
1.8521467904777094e-09
]
[
-4.98355439829066e-11
8.491978360950985e-10
-4.0288093312068896e-10
]
[
-1.29833184624507e-09
-8.957181561869323e-10
1.5282789604570278e-09
]
[
1.58378364624168e-10
2.989352378953638e-10
-1.358961414428898e-10
]
[
-7.049876796630558e-10
-1.3041190684647414e-09
-3.396441429003528e-10
]
[
4.744434342196062e-10
2.136866235534918e-10
-2.1769856997562582e-09
]
[
6.30422859769686e-10
2.1635969504965739e-10
7.49078459107092e-11
]
[
-3.5714551936185177e-10
-6.189863627385306e-10
1.503376809687756e-10
]
[
5.10082571701629e-10
2.096310658833803e-09
3.27045907591884e-10
]
[
-8.966619984420217e-10
5.957434260914292e-10
-7.174183272956082e-10
]
[
5.624245608107653e-10
1.228583489748831e-09
-3.602869070881356e-10
]
[
-3.078997365979206e-10
5.476707570589128e-10
3.209465813639094e-10
]
[
6.6875653791477e-11
-4.985791036871723e-10
-1.1688437704675265e-09
]
[
-2.831416215080454e-10
-2.66860142335674e-11
7.103373474439819e-10
]
[
-3.98518206146307e-10
-7.233005585896758e-10
6.97494780198828e-10
]
[
1.35133184929779e-10
-1.6946542693144801e-10
-1.85077036053144e-10
]
[
5.687472304615194e-10
3.050485030600542e-10
3.978760537513998e-10
]
[
2.2362061535904834e-09
-1.414196453886048e-10
8.706891130282475e-10
]
[
6.224456223090001e-13
-5.231773215489744e-10
-4.2974350721932316e-10
]
[
6.020792335905822e-10
1.587194680295466e-10
-3.00911202338076e-11
]
[
1.0812542158457171e-09
3.7755676902602163e-10
-9.2948675244876e-10
]
[
2.1054779930982237e-10
1.744094235886452e-10
2.1931298723910957e-10
]
[
8.093162951039069e-10
2.0186576434783977e-10
1.2465182549898269e-09
]
[
2.872643424226542e-10
-1.2738491453185794e-09
-7.77577175984367e-10
]
[
5.222464569246204e-10
-1.757584563144732e-10
-7.181099869485061e-10
]
[
-6.4729538190234e-10
-1.1779729729280585e-09
5.434634412180287e-10
]
[
1.635011641937196e-10
7.554940550026182e-10
-1.2535981133178096e-09
]
[
-5.767142139917478e-10
2.413051045880472e-10
-7.653205247342669e-10
]
[
1.643262851602296e-10
-4.813709255496954e-10
5.520434175284256e-10
]
[
2.342140310236266e-10
-4.237129143689472e-10
1.97446640755941e-10
]
[
2.2879883421837e-11
-3.9561618360914283e-10
-3.428928764611146e-10
]
[
-8.964516326499774e-10
-7.52640097764474e-10
-5.664484274270562e-10
]
[
-1.9743148416498337e-09
5.482823078801106e-10
-4.651761241332234e-10
]
[
1.150814316587461e-09
-4.4398717793091e-11
-1.79950070824344e-11
]
[
1.1909892161203381e-09
5.370193265784174e-10
-7.226758699200792e-10
]
[
-1.672050761362008e-09
-5.791895768912778e-10
7.13093571907452e-11
]
[
-7.295907040547598e-10
1.867847961273246e-10
-8.47880686684287e-10
]
[
-2.4527939985928225e-09
-7.339840326028512e-10
4.5416356303942444e-10
]
[
4.276855113329502e-10
6.237696610793377e-10
5.047130369304414e-10
]
[
1.1610301152411719e-10
9.266188562739e-11
-3.79179934173927e-10
]
[
2.679058830246858e-10
3.58301169367956e-11
1.681904147661108e-10
]
[
1.3024095459962634e-09
5.343669231608303e-10
-6.29483984262162e-11
]
[
-7.143517612181322e-10
-5.40096947674668e-10
-7.296645643975872e-10
]
[
-4.98350633299164e-11
1.218008322876114e-10
1.519662134084049e-09
]
[
1.189250854472448e-09
-9.363009698908253e-10
1.6322009434681698e-09
]
[
3.32973961137684e-11
5.782531046487048e-10
5.119356491965134e-10
]
[
-2.427520303062126e-09
5.256294528873114e-10
4.24778682265884e-10
]
[
-9.53529015018564e-11
3.40154916811272e-10
-6.189503137642657e-10
]
[
-1.5946617847158864e-09
8.500689395310042e-10
-2.233536286447586e-09
]
[
-5.6356723318613404e-11
-1.3715064574731182e-10
9.9894110953266e-11
]
[
-3.0596126308844396e-11
3.287395685116854e-10
7.365622552422841e-11
]
[
1.7281083583030535e-09
-1.927694065083048e-10
-8.929598488938379e-10
]
[
1.558951510591314e-10
9.908456314363848e-10
2.0702901887739993e-09
]
[
4.873379119877017e-10
6.21644533992e-14
7.323522157011222e-10
]
[
3.74331747679443e-10
1.821674832858e-11
-6.284698064528399e-11
]
[
-5.953877428786812e-10
-5.941388461924783e-10
-1.639605082346874e-10
]
[
7.54668453383118e-11
-2.3890648594928577e-10
3.1323642674811123e-10
]
[
-1.537191067983653e-09
-2.0088058593559323e-10
3.076480346487192e-10
]
[
-1.1586246072428845e-09
8.517435345488611e-10
-6.505415519804874e-10
]
[
5.4961067252736e-10
-6.946704632284127e-10
-4.1402423182782245e-10
]
[
-2.0189636592154921e-10
1.9603412979187394e-09
-2.827479667090716e-10
]
[
6.298156348254001e-10
-2.239456809763206e-09
2.3226546380135582e-10
]
[
2.8413561189177897e-10
-1.68643510318206e-10
-1.350287230132422e-10
]
]
}
"unrelaxed-potential-energy" {
"source-value" -179.92200659352122
"source-unit" "eV"
"si-unit" "kg m^2 / s^2"
"si-value" -2.882668349065336e-17
}
}