{
"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" [
10.411
0
0
]
"si-unit" "m"
"si-value" [
1.0411e-09
0.0
0.0
]
}
"unrelaxed-periodic-cell-vector-2" {
"source-unit" "angstrom"
"source-value" [
-5.29438
9.21066
0
]
"si-unit" "m"
"si-value" [
-5.294380000000001e-10
9.210660000000001e-10
0.0
]
}
"unrelaxed-periodic-cell-vector-3" {
"source-unit" "angstrom"
"source-value" [
-0.225117
-0.0675308
10.2123
]
"si-unit" "m"
"si-value" [
-2.25117e-11
-6.75308e-12
1.02123e-09
]
}
"unrelaxed-configuration-positions" {
"source-value" [
[
0.032644
-0.348865
0.262117
]
[
0.0895591
0.0919407
2.92005
]
[
0.132511
0.0877004
5.1977
]
[
-0.387306
-0.579647
7.71063
]
[
-1.39484
2.2423
0.430563
]
[
-1.46759
1.95149
2.37315
]
[
-1.49513
2.24499
4.89593
]
[
-1.51482
2.26793
7.74871
]
[
-2.60635
4.58616
0.485327
]
[
-2.69256
4.48069
2.67269
]
[
-2.72927
4.56722
5.31696
]
[
-2.89421
4.44106
7.87764
]
[
-3.94579
6.84436
0.0641042
]
[
-4.08301
6.85325
2.63122
]
[
-4.51897
6.91495
5.13935
]
[
-4.09555
6.92809
7.99318
]
[
2.65588
0.0182102
0.184703
]
[
2.65332
-0.273709
2.75315
]
[
2.59953
-0.270718
5.54693
]
[
2.14279
0.0901647
8.06584
]
[
1.3739
2.00123
0.0421206
]
[
1.57539
2.15566
2.62554
]
[
1.1634
2.17468
5.30039
]
[
1.01377
2.05654
7.47411
]
[
-0.0124658
4.65353
0.0422212
]
[
-0.2125
4.23955
2.95357
]
[
-0.0815717
4.0382
5.32116
]
[
-0.254481
4.43847
7.97266
]
[
-1.57641
7.03783
-0.081675
]
[
-1.42092
6.46247
2.79682
]
[
-1.49707
6.77968
5.43924
]
[
-1.36691
6.61651
7.63316
]
[
5.18815
-0.0976661
-0.221188
]
[
5.00848
-0.0939251
2.4953
]
[
5.07255
-0.0605492
5.51938
]
[
4.96358
-0.266651
7.69705
]
[
3.99473
2.38395
0.117111
]
[
3.87483
2.26191
2.78385
]
[
3.90332
2.16788
5.36154
]
[
3.42601
2.22366
8.16952
]
[
2.44878
4.51192
0.300057
]
[
2.35265
4.71794
3.08973
]
[
2.45121
4.56732
5.75721
]
[
2.47528
4.47056
7.94989
]
[
1.35813
6.92705
0.690128
]
[
1.30729
6.80619
2.84456
]
[
1.15128
6.72026
5.06169
]
[
1.06069
6.72297
8.10403
]
[
7.98813
0.0646273
0.348553
]
[
7.81184
-0.0381409
2.73794
]
[
7.91579
-0.345681
5.60963
]
[
7.67692
-0.122649
8.16693
]
[
6.65958
2.51772
0.112505
]
[
6.53716
2.24303
2.45744
]
[
6.69999
2.26023
5.12355
]
[
6.34109
2.14616
8.04966
]
[
5.26606
4.55868
0.309546
]
[
5.14345
4.38936
2.56679
]
[
5.15982
4.46608
5.65685
]
[
5.17008
4.33331
8.20244
]
[
3.93881
6.94156
0.784897
]
[
3.73503
7.06085
3.16928
]
[
3.88909
6.7996
5.18682
]
[
3.70294
6.72284
8.16498
]
]
"source-unit" "angstrom"
"si-unit" "m"
"si-value" [
[
3.2644e-12
-3.48865e-11
2.6211699999999998e-11
]
[
8.95591e-12
9.19407e-12
2.92005e-10
]
[
1.32511e-11
8.77004e-12
5.197700000000001e-10
]
[
-3.87306e-11
-5.7964700000000005e-11
7.71063e-10
]
[
-1.39484e-10
2.2423000000000004e-10
4.30563e-11
]
[
-1.46759e-10
1.95149e-10
2.3731499999999997e-10
]
[
-1.49513e-10
2.2449900000000002e-10
4.89593e-10
]
[
-1.5148200000000002e-10
2.2679299999999997e-10
7.74871e-10
]
[
-2.60635e-10
4.58616e-10
4.85327e-11
]
[
-2.69256e-10
4.4806900000000003e-10
2.67269e-10
]
[
-2.7292700000000003e-10
4.56722e-10
5.31696e-10
]
[
-2.8942100000000003e-10
4.4410600000000005e-10
7.877640000000001e-10
]
[
-3.9457900000000004e-10
6.84436e-10
6.4104200000000005e-12
]
[
-4.08301e-10
6.85325e-10
2.63122e-10
]
[
-4.5189700000000004e-10
6.91495e-10
5.13935e-10
]
[
-4.0955500000000004e-10
6.92809e-10
7.99318e-10
]
[
2.65588e-10
1.82102e-12
1.84703e-11
]
[
2.65332e-10
-2.7370899999999998e-11
2.7531500000000005e-10
]
[
2.5995300000000004e-10
-2.7071800000000002e-11
5.54693e-10
]
[
2.1427900000000003e-10
9.016470000000001e-12
8.06584e-10
]
[
1.3739e-10
2.00123e-10
4.21206e-12
]
[
1.5753900000000002e-10
2.1556600000000003e-10
2.62554e-10
]
[
1.1634000000000001e-10
2.17468e-10
5.300390000000001e-10
]
[
1.0137700000000002e-10
2.0565400000000002e-10
7.47411e-10
]
[
-1.2465800000000001e-12
4.6535300000000003e-10
4.22212e-12
]
[
-2.125e-11
4.2395500000000006e-10
2.9535700000000003e-10
]
[
-8.15717e-12
4.0382e-10
5.32116e-10
]
[
-2.5448100000000002e-11
4.43847e-10
7.97266e-10
]
[
-1.5764100000000002e-10
7.037829999999999e-10
-8.1675e-12
]
[
-1.42092e-10
6.46247e-10
2.79682e-10
]
[
-1.49707e-10
6.77968e-10
5.439240000000001e-10
]
[
-1.36691e-10
6.61651e-10
7.633160000000001e-10
]
[
5.18815e-10
-9.76661e-12
-2.21188e-11
]
[
5.00848e-10
-9.39251e-12
2.4953e-10
]
[
5.07255e-10
-6.05492e-12
5.51938e-10
]
[
4.96358e-10
-2.6665100000000005e-11
7.69705e-10
]
[
3.9947300000000004e-10
2.3839500000000003e-10
1.1711100000000001e-11
]
[
3.87483e-10
2.26191e-10
2.78385e-10
]
[
3.90332e-10
2.16788e-10
5.36154e-10
]
[
3.4260100000000005e-10
2.2236600000000002e-10
8.169520000000001e-10
]
[
2.44878e-10
4.51192e-10
3.00057e-11
]
[
2.35265e-10
4.71794e-10
3.08973e-10
]
[
2.4512100000000004e-10
4.56732e-10
5.75721e-10
]
[
2.47528e-10
4.47056e-10
7.949890000000001e-10
]
[
1.3581300000000002e-10
6.92705e-10
6.90128e-11
]
[
1.3072900000000001e-10
6.806190000000001e-10
2.84456e-10
]
[
1.1512800000000002e-10
6.72026e-10
5.06169e-10
]
[
1.0606899999999999e-10
6.72297e-10
8.10403e-10
]
[
7.98813e-10
6.46273e-12
3.4855300000000004e-11
]
[
7.81184e-10
-3.81409e-12
2.7379400000000003e-10
]
[
7.915790000000001e-10
-3.4568100000000005e-11
5.60963e-10
]
[
7.67692e-10
-1.22649e-11
8.166930000000001e-10
]
[
6.65958e-10
2.51772e-10
1.12505e-11
]
[
6.537160000000001e-10
2.2430300000000002e-10
2.45744e-10
]
[
6.69999e-10
2.26023e-10
5.12355e-10
]
[
6.341090000000001e-10
2.1461600000000002e-10
8.049659999999999e-10
]
[
5.266060000000001e-10
4.55868e-10
3.09546e-11
]
[
5.143449999999999e-10
4.38936e-10
2.5667900000000003e-10
]
[
5.15982e-10
4.46608e-10
5.656850000000001e-10
]
[
5.170079999999999e-10
4.33331e-10
8.20244e-10
]
[
3.9388100000000005e-10
6.94156e-10
7.84897e-11
]
[
3.7350300000000003e-10
7.06085e-10
3.1692800000000005e-10
]
[
3.88909e-10
6.7996e-10
5.18682e-10
]
[
3.70294e-10
6.72284e-10
8.16498e-10
]
]
}
"unrelaxed-configuration-forces" {
"source-value" [
[
0.8756548
1.4129506
-0.8147682
]
[
-0.2590729
-0.2906993
-1.4841503
]
[
-0.093489
0.4331058
1.4874669
]
[
1.8153264
3.4474018
0.1878714
]
[
2.2029829
4.9050327
-16.6073865
]
[
2.3154123
0.2934665
18.3949181
]
[
1.1517609
-1.6742297
0.1193171
]
[
-0.3978361
-0.8758723
-1.0598671
]
[
2.1516896
0.5530131
-2.8859592
]
[
-1.3690212
0.3897518
3.2672308
]
[
0.4643673
-0.0051053
0.0922396
]
[
1.0306211
0.7081935
-0.1167963
]
[
-0.40248
-0.9989907
0.8375675
]
[
-0.2776794
-0.8252283
1.4417922
]
[
15.2920196
1.2376857
0.5972392
]
[
1.9698325
-1.0799223
-1.2625002
]
[
0.6399165
-0.2230781
1.3497249
]
[
-0.3328934
-1.2025887
0.9566848
]
[
-0.2284142
-1.5362539
-0.891348
]
[
0.708418
-1.3012044
-1.5367529
]
[
-2.3146071
1.5909092
0.70282
]
[
-0.6254748
0.8149403
0.1325459
]
[
3.2995174
-0.2419594
-3.8240061
]
[
-0.6442627
0.794249
4.2919934
]
[
-0.5396692
0.777687
1.6773171
]
[
0.3686602
-1.7295361
-0.7109875
]
[
-1.0864243
1.8806714
0.855486
]
[
0.9579853
-0.5042653
-1.35356
]
[
1.3840397
-0.9282289
-0.1133723
]
[
1.3125014
1.7631723
0.5646133
]
[
1.2630527
0.2209012
-3.5239351
]
[
-1.1243489
0.1242588
2.515093
]
[
0.9163436
-0.8738364
3.4112571
]
[
1.750881
0.477264
-1.3474781
]
[
2.311847
0.925234
-4.2907325
]
[
0.5973492
0.3898136
3.6327477
]
[
0.5893549
-1.0515368
3.5600897
]
[
1.8070803
0.0251
0.2373487
]
[
-0.1556946
0.3441065
0.4173372
]
[
0.269752
0.1710407
-4.6056034
]
[
-0.6881249
-0.3916889
1.1086429
]
[
1.0950984
-0.5567435
-1.5639445
]
[
1.2119347
1.4677947
-3.4715073
]
[
-0.4298001
0.2354993
2.6400051
]
[
-0.7162485
0.4011995
-8.3839021
]
[
-2.2136158
1.2473467
2.4780318
]
[
-0.8136243
1.8850446
3.1427291
]
[
1.1058923
0.6883475
2.4393214
]
[
-1.2257536
-2.261578
-1.9679921
]
[
-2.0022912
-0.9116357
1.126969
]
[
-1.8222945
0.2678785
-0.7714876
]
[
-0.7242962
0.6840587
-1.1180133
]
[
-0.618325
-0.4032351
0.2506509
]
[
-1.0995943
-0.9431163
2.1435771
]
[
-4.8487144
-1.1766059
-0.0525932
]
[
-0.417014
-1.6185869
-1.6828732
]
[
-1.1959302
1.3819456
-0.6574667
]
[
-1.097151
0.6794362
1.641776
]
[
-0.4980722
0.7779294
0.3129708
]
[
-1.429564
0.128626
-1.6248129
]
[
-1.1468199
-2.1288689
-1.5953103
]
[
-1.1866689
0.8669639
-9.8543926
]
[
-14.9683024
-5.0614469
8.7720649
]
[
-1.8657189
-3.595978
2.3860594
]
]
"source-unit" "eV/angstrom"
"si-unit" "kg m / s^2"
"si-value" [
[
1.4029536484512999e-09
2.2637964176653325e-09
-1.3054025614112986e-09
]
[
-4.1508054346285634e-10
-4.657516221429255e-10
-2.3778709124133064e-09
]
[
-1.497858901019712e-10
6.939119870928807e-10
2.3831846913938515e-09
]
[
2.9084735172010292e-09
5.523346566463838e-09
3.0100316479696514e-10
]
[
3.5295676984021844e-09
7.858728716199499e-09
-2.6607966382889542e-08
]
[
3.709699454572756e-09
4.701851652880033e-10
2.9471907721350762e-08
]
[
1.8453243867315667e-09
-2.6824116831889977e-09
1.911670680816557e-10
]
[
-6.37403698330251e-10
-1.403302121866324e-09
-1.6980942887750956e-09
]
[
3.447386772338504e-09
8.860246598161325e-10
-4.623816358822671e-09
]
[
-2.193413760019561e-09
6.244512218747174e-10
5.234680802517681e-09
]
[
7.439984315240198e-10
-8.179592302170241e-12
1.477841306319437e-10
]
[
1.651237031323179e-09
1.1346510687025248e-09
-1.8712830125594304e-10
]
[
-6.44844046339584e-10
-1.6005595439366267e-09
1.341931066841904e-09
]
[
-4.4489144275777157e-10
-1.3221614890825288e-09
2.310005754891798e-09
]
[
2.4500516287935367e-08
1.9829910924384826e-09
9.568826832652953e-10
]
[
3.156019578392016e-09
-1.7302262613405639e-09
-2.022748304195324e-09
]
[
1.0252592555641632e-09
-3.574105164324845e-10
2.162497679291618e-09
]
[
-5.333540226986227e-10
-1.9267594995782648e-09
1.5327780200347238e-09
]
[
-3.659598910987354e-10
-2.461350082192821e-09
-1.4280969265968386e-09
]
[
1.1350107573538944e-09
-2.0847592685620917e-09
-2.4621495683266006e-09
]
[
-3.7084093819576877e-09
2.5489175260556313e-09
1.126041772630656e-09
]
[
-1.0021211014595558e-09
1.3056782960077382e-09
2.1236194216289471e-10
]
[
5.286409638202802e-09
-3.8766169386279554e-10
-6.126733171216587e-09
]
[
-1.0322226355934841e-09
1.2725271788937793e-09
6.876531482107903e-09
]
[
-8.646453752058393e-10
1.2459919297000896e-09
2.687358243288056e-09
]
[
5.906587534594521e-10
-2.771022304249611e-09
-1.13912755018104e-09
]
[
-1.7406436137290055e-09
3.0131677484872053e-09
1.3706396686217088e-09
]
[
1.5348616507300743e-09
-8.079220743406984e-10
-2.1686421868500484e-09
]
[
2.2174760495990458e-09
-1.4871866423309011e-09
-1.8164244850632384e-10
]
[
2.102859057847269e-09
2.824913437502164e-09
9.046102290527367e-10
]
[
2.0236335067783165e-09
3.53922738146665e-10
-5.645966430436511e-09
]
[
-1.8014055212021972e-09
1.9908454428866304e-10
4.029623203737734e-09
]
[
1.468144292539707e-09
-1.400040250484037e-09
5.465436373158008e-09
]
[
2.805220604002925e-09
7.646612227494913e-10
-2.1588979088600046e-09
]
[
3.703987214266618e-09
1.4823882835692673e-09
-6.874511297606736e-09
]
[
9.570589226935835e-10
6.245502363898828e-10
5.820303434204972e-09
]
[
9.44250642133922e-10
-1.6847476768708456e-09
5.7038924852908856e-09
]
[
2.8952618085682502e-09
4.021463318208e-11
3.8027453811727295e-10
]
[
-2.4945024810480765e-10
5.513193893653152e-10
6.686479048301338e-10
]
[
4.321903478140416e-10
2.740374107452666e-10
-7.378990092156991e-09
]
[
-1.102497626970338e-09
-6.275547982068691e-10
1.7762417351959124e-09
]
[
1.7545410539554866e-09
-8.920014194823648e-10
-2.5057153141287458e-09
]
[
1.9417334422762618e-09
2.35166635247415e-09
-5.561967834996532e-09
]
[
-6.886156718375021e-10
3.7731147267476543e-10
4.229754450012767e-09
]
[
-1.1475566013830688e-09
6.427924591766496e-10
-1.3432491935696025e-08
]
[
-3.5466034821934885e-09
1.9984697207720317e-09
3.970244615558942e-09
]
[
-1.3035698315747655e-09
3.0201743872852878e-09
5.0352070895278255e-09
]
[
1.77183478818274e-09
1.102854271486128e-09
3.908223717697125e-09
]
[
-1.963873760781435e-09
-3.623447397715623e-09
-3.1530709325390958e-09
]
[
-3.2080241486735774e-09
-1.4606014052266428e-09
1.8056033841663555e-09
]
[
-2.9196376441124255e-09
4.2918866991497283e-10
-1.2360593959571022e-09
]
[
-1.1604504381742808e-09
1.095982856394841e-09
-1.7912547710034569e-09
]
[
-9.9066585905616e-10
-6.460538499059501e-10
4.0158701196247874e-10
]
[
-1.7617442798249413e-09
-1.511038886555399e-09
3.4343891145022636e-09
]
[
-7.7684968526163e-09
-1.8851304648753426e-09
-8.426359545305856e-11
]
[
-6.681300813462912e-10
-2.5932620899131475e-09
-2.6962600968108825e-09
]
[
-1.9160914065486683e-09
2.214120931537429e-09
-1.0533777756945274e-09
]
[
-1.7578296816873409e-09
1.0885767949651931e-09
2.6304151237905406e-09
]
[
-7.979996343104218e-10
1.2463802973129715e-09
5.014344987530727e-10
]
[
-2.2904140187373314e-09
2.060815700270208e-10
-2.6032372415542483e-09
]
[
-1.8374080320481938e-09
-3.4108239803282132e-09
-2.5559688655814344e-09
]
[
-1.901253168210453e-09
1.3890292916575891e-09
-1.5788477435904528e-08
]
[
-2.3981864158344533e-08
-8.109331890600636e-09
1.405439729892029e-08
]
[
-2.989211202564693e-09
-5.761391880511143e-09
3.822888586520076e-09
]
]
}
"unrelaxed-potential-energy" {
"source-value" -229.73302
"source-unit" "eV"
"si-unit" "kg m^2 / s^2"
"si-value" -3.680728736697789e-17
}
}