{
"property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt"
"instance-id" 1
"space-group" {
"source-value" "P1"
}
"basis-atom-coordinates" {
"source-value" [
[
0.769814
0.681119
0.934702
]
[
0.096819
0.332147
0.560104
]
[
0.904922
0.674065
0.445802
]
[
0.092207
0.781234
0.049513
]
[
0.691819
0.91978
0.059212
]
[
0.992186
0.994442
0.507621
]
[
0.998664
0.429475
0.755953
]
[
0.001007
0.561937
0.248616
]
[
0.434325
0.430674
0.248205
]
[
0.554618
0.563206
0.744657
]
[
0.435746
0.999152
0.74468
]
[
0.563194
0.003274
0.25902
]
[
0.312651
0.083381
0.160014
]
[
0.301514
0.218128
0.661826
]
[
0.783038
0.082286
0.659473
]
[
0.662778
0.334891
0.868189
]
[
0.669637
0.34062
0.367528
]
[
0.910444
0.222648
0.159706
]
[
0.088514
0.31271
0.34126
]
[
0.769852
0.680499
0.153956
]
[
0.229096
0.31133
0.848159
]
[
0.909174
0.681105
0.65952
]
[
0.092744
0.774563
0.837025
]
[
0.326419
0.66317
0.630047
]
[
0.338361
0.670773
0.133432
]
[
0.216573
0.915049
0.34425
]
[
0.693677
0.775924
0.337422
]
[
0.682263
0.912211
0.842202
]
[
0.193475
0.987212
0.430221
]
[
0.345465
0.086056
0.664502
]
[
0.235268
0.241393
0.937117
]
[
0.344038
0.25536
0.165893
]
[
0.473031
0.089841
0.181387
]
[
0.525805
0.185094
0.818486
]
[
0.619075
0.07464
0.667157
]
[
0.748753
0.986691
0.934466
]
[
0.738833
0.079874
0.165141
]
[
0.519192
0.331643
0.322224
]
[
0.45905
0.380261
0.669686
]
[
0.674065
0.191681
0.325761
]
[
0.671951
0.335704
0.972043
]
[
0.678622
0.352264
0.471482
]
[
0.818104
0.342181
0.822619
]
[
0.62004
0.521027
0.174505
]
[
0.661923
0.483485
0.829014
]
[
0.917341
0.259257
0.665457
]
[
0.99005
0.200497
0.255298
]
[
0.020444
0.241682
0.433708
]
[
0.998688
0.234782
0.073686
]
[
0.90348
0.378663
0.181556
]
[
0.817125
0.493504
0.324759
]
[
0.087743
0.343946
0.832982
]
[
0.91556
0.528506
0.673102
]
[
0.735924
0.645886
0.67179
]
[
0.207498
0.198519
0.758198
]
[
0.199335
0.205478
0.580699
]
[
0.800906
0.794268
0.416885
]
[
0.259515
0.343663
0.328266
]
[
0.09034
0.472144
0.324023
]
[
0.91902
0.661238
0.157071
]
[
0.181865
0.509443
0.669868
]
[
0.101073
0.620925
0.821137
]
[
0.001681
0.760984
0.925222
]
[
0.976716
0.766351
0.569876
]
[
0.001073
0.79394
0.748616
]
[
0.082185
0.738757
0.33436
]
[
0.344046
0.527085
0.178508
]
[
0.380834
0.471672
0.822257
]
[
0.184274
0.666962
0.174996
]
[
0.338175
0.673652
0.02929
]
[
0.330595
0.658788
0.525914
]
[
0.325225
0.811033
0.673731
]
[
0.539659
0.615008
0.32894
]
[
0.478846
0.66881
0.676456
]
[
0.260652
0.917556
0.833139
]
[
0.201879
0.998144
0.250488
]
[
0.23379
0.993639
0.073856
]
[
0.380425
0.92066
0.332322
]
[
0.483672
0.819974
0.177875
]
[
0.523166
0.905561
0.818513
]
[
0.657971
0.74224
0.834539
]
[
0.758208
0.753569
0.064068
]
[
0.789025
0.797431
0.239286
]
[
0.653086
0.91114
0.334055
]
[
0.811111
0.004696
0.577698
]
[
0.799922
0.008335
0.757611
]
]
}
"species" {
"source-value" [
"Li"
"Li"
"Li"
"Li"
"Li"
"Li"
"V"
"V"
"V"
"V"
"V"
"V"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
]
}
"cauchy-stress" {
"source-value" [
0
0
0
0
0
0
]
"source-unit" "GPa"
}
"temperature" {
"source-value" 0
"source-unit" "K"
}
"a" {
"source-value" 9.73380525
"source-unit" "angstrom"
}
"b" {
"source-value" 9.76577152
"source-unit" "angstrom"
}
"c" {
"source-value" 14.21764155
"source-unit" "angstrom"
}
"alpha" {
"source-value" 90.514127
"source-unit" "degree"
}
"beta" {
"source-value" 89.80882933
"source-unit" "degree"
}
"gamma" {
"source-value" 119.80795904
"source-unit" "degree"
}
}