[
{
"property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal"
"instance-id" 1
"prototype-label" {
"source-value" "A_mP32_14_8e"
}
"stoichiometric-species" {
"source-value" [
"Se"
]
}
"a" {
"source-value" 17.9825
"source-unit" "angstrom"
"si-unit" "m"
"si-value" 1.79825e-09
}
"binding-potential-energy-per-atom" {
"source-value" -2.127596498105418
"source-unit" "eV"
"si-unit" "kg m^2 / s^2"
"si-value" -3.408785395844726e-19
}
"binding-potential-energy-per-formula" {
"source-value" -2.127596498105418
"source-unit" "eV"
"si-unit" "kg m^2 / s^2"
"si-value" -3.408785395844726e-19
}
"parameter-names" {
"source-value" [
"b/a"
"c/a"
"beta"
"x1"
"y1"
"z1"
"x2"
"y2"
"z2"
"x3"
"y3"
"z3"
"x4"
"y4"
"z4"
"x5"
"y5"
"z5"
"x6"
"y6"
"z6"
"x7"
"y7"
"z7"
"x8"
"y8"
"z8"
]
}
"parameter-values" {
"source-value" [
0.46823857
0.46952315
128.3509
0.60604357
0.74220838
0.14516056
0.39821797
0.99809862
0.60894797
0.80603888
0.50105942
0.15613448
0.80864296
0.7471175
0.41307592
0.80747925
0.49532814
0.65396173
0.39471344
0.99947299
0.10532072
0.39793077
0.7531212
0.35400202
0.19222883
0.74909195
0.094312972
]
}
}
{
"property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt"
"instance-id" 2
"prototype-label" {
"source-value" "A_mP32_14_8e"
}
"stoichiometric-species" {
"source-value" [
"Se"
]
}
"a" {
"source-value" 17.9825
"source-unit" "angstrom"
"si-unit" "m"
"si-value" 1.79825e-09
}
"cell-cauchy-stress" {
"source-value" [
0.0
0.0
0.0
0.0
0.0
0.0
]
"source-unit" "eV/angstrom^3"
"si-unit" "kg / m s^2"
"si-value" [
0.0
0.0
0.0
0.0
0.0
0.0
]
}
"temperature" {
"source-value" 0.0
"source-unit" "K"
"si-unit" "K"
"si-value" 0.0
}
"parameter-names" {
"source-value" [
"b/a"
"c/a"
"beta"
"x1"
"y1"
"z1"
"x2"
"y2"
"z2"
"x3"
"y3"
"z3"
"x4"
"y4"
"z4"
"x5"
"y5"
"z5"
"x6"
"y6"
"z6"
"x7"
"y7"
"z7"
"x8"
"y8"
"z8"
]
}
"parameter-values" {
"source-value" [
0.46823857
0.46952315
128.3509
0.60604357
0.74220838
0.14516056
0.39821797
0.99809862
0.60894797
0.80603888
0.50105942
0.15613448
0.80864296
0.7471175
0.41307592
0.80747925
0.49532814
0.65396173
0.39471344
0.99947299
0.10532072
0.39793077
0.7531212
0.35400202
0.19222883
0.74909195
0.094312972
]
}
}
{
"property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal"
"instance-id" 3
"prototype-label" {
"source-value" "A_mP32_14_8e"
}
"stoichiometric-species" {
"source-value" [
"Se"
]
}
"a" {
"source-value" 11.2049
"source-unit" "angstrom"
"si-unit" "m"
"si-value" 1.12049e-09
}
"binding-potential-energy-per-atom" {
"source-value" -2.127596498105418
"source-unit" "eV"
"si-unit" "kg m^2 / s^2"
"si-value" -3.408785395844726e-19
}
"binding-potential-energy-per-formula" {
"source-value" -2.127596498105418
"source-unit" "eV"
"si-unit" "kg m^2 / s^2"
"si-value" -3.408785395844726e-19
}
"parameter-names" {
"source-value" [
"b/a"
"c/a"
"beta"
"x1"
"y1"
"z1"
"x2"
"y2"
"z2"
"x3"
"y3"
"z3"
"x4"
"y4"
"z4"
"x5"
"y5"
"z5"
"x6"
"y6"
"z6"
"x7"
"y7"
"z7"
"x8"
"y8"
"z8"
]
}
"parameter-values" {
"source-value" [
0.78296995
1.3570045
142.0416
0.42987275
4.1005796e-05
0.17283149
0.96877939
0.12370048
0.050187028
0.857848
0.36933278
0.87572985
0.018111706
0.85617889
0.74352515
0.37285576
0.24873618
0.28316583
0.32478366
0.10741311
0.93002117
0.72434555
0.098306986
0.56282889
0.56193523
0.15110079
0.6383511
]
}
}
{
"property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt"
"instance-id" 4
"prototype-label" {
"source-value" "A_mP32_14_8e"
}
"stoichiometric-species" {
"source-value" [
"Se"
]
}
"a" {
"source-value" 11.2049
"source-unit" "angstrom"
"si-unit" "m"
"si-value" 1.12049e-09
}
"cell-cauchy-stress" {
"source-value" [
0.0
0.0
0.0
0.0
0.0
0.0
]
"source-unit" "eV/angstrom^3"
"si-unit" "kg / m s^2"
"si-value" [
0.0
0.0
0.0
0.0
0.0
0.0
]
}
"temperature" {
"source-value" 0.0
"source-unit" "K"
"si-unit" "K"
"si-value" 0.0
}
"parameter-names" {
"source-value" [
"b/a"
"c/a"
"beta"
"x1"
"y1"
"z1"
"x2"
"y2"
"z2"
"x3"
"y3"
"z3"
"x4"
"y4"
"z4"
"x5"
"y5"
"z5"
"x6"
"y6"
"z6"
"x7"
"y7"
"z7"
"x8"
"y8"
"z8"
]
}
"parameter-values" {
"source-value" [
0.78296995
1.3570045
142.0416
0.42987275
4.1005796e-05
0.17283149
0.96877939
0.12370048
0.050187028
0.857848
0.36933278
0.87572985
0.018111706
0.85617889
0.74352515
0.37285576
0.24873618
0.28316583
0.32478366
0.10741311
0.93002117
0.72434555
0.098306986
0.56282889
0.56193523
0.15110079
0.6383511
]
}
}
{
"property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal"
"instance-id" 5
"prototype-label" {
"source-value" "A_mP32_14_8e"
}
"stoichiometric-species" {
"source-value" [
"Se"
]
}
"a" {
"source-value" 10.6975
"source-unit" "angstrom"
"si-unit" "m"
"si-value" 1.06975e-09
}
"binding-potential-energy-per-atom" {
"source-value" -2.127596498105418
"source-unit" "eV"
"si-unit" "kg m^2 / s^2"
"si-value" -3.408785395844726e-19
}
"binding-potential-energy-per-formula" {
"source-value" -2.127596498105418
"source-unit" "eV"
"si-unit" "kg m^2 / s^2"
"si-value" -3.408785395844726e-19
}
"parameter-names" {
"source-value" [
"b/a"
"c/a"
"beta"
"x1"
"y1"
"z1"
"x2"
"y2"
"z2"
"x3"
"y3"
"z3"
"x4"
"y4"
"z4"
"x5"
"y5"
"z5"
"x6"
"y6"
"z6"
"x7"
"y7"
"z7"
"x8"
"y8"
"z8"
]
}
"parameter-values" {
"source-value" [
0.94691283
1.0080206
99.2364
0.30685001
0.70813306
0.84690261
0.11407972
0.64902207
0.9874218
0.098076221
0.38936037
0.87729798
0.30459017
0.45427575
0.73105861
0.50387444
0.56942511
0.61191742
0.70115373
0.45574494
0.80368164
0.7168218
0.70461303
0.92350529
0.5040817
0.63713838
0.056426765
]
}
}
{
"property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt"
"instance-id" 6
"prototype-label" {
"source-value" "A_mP32_14_8e"
}
"stoichiometric-species" {
"source-value" [
"Se"
]
}
"a" {
"source-value" 10.6975
"source-unit" "angstrom"
"si-unit" "m"
"si-value" 1.06975e-09
}
"cell-cauchy-stress" {
"source-value" [
0.0
0.0
0.0
0.0
0.0
0.0
]
"source-unit" "eV/angstrom^3"
"si-unit" "kg / m s^2"
"si-value" [
0.0
0.0
0.0
0.0
0.0
0.0
]
}
"temperature" {
"source-value" 0.0
"source-unit" "K"
"si-unit" "K"
"si-value" 0.0
}
"parameter-names" {
"source-value" [
"b/a"
"c/a"
"beta"
"x1"
"y1"
"z1"
"x2"
"y2"
"z2"
"x3"
"y3"
"z3"
"x4"
"y4"
"z4"
"x5"
"y5"
"z5"
"x6"
"y6"
"z6"
"x7"
"y7"
"z7"
"x8"
"y8"
"z8"
]
}
"parameter-values" {
"source-value" [
0.94691283
1.0080206
99.2364
0.30685001
0.70813306
0.84690261
0.11407972
0.64902207
0.9874218
0.098076221
0.38936037
0.87729798
0.30459017
0.45427575
0.73105861
0.50387444
0.56942511
0.61191742
0.70115373
0.45574494
0.80368164
0.7168218
0.70461303
0.92350529
0.5040817
0.63713838
0.056426765
]
}
}
]