{
"property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal"
"instance-id" 1
"space-group" {
"source-value" "Fm-3c"
}
"basis-atom-coordinates" {
"source-value" [
[
0.25
0
0
]
[
0
0
0.75
]
[
0
0.75
0
]
[
0
0.25
0
]
[
0.75
0
0
]
[
0
0
0.25
]
[
0.25
0.5
0.5
]
[
0
0.5
0.25
]
[
0
0.25
0.5
]
[
0
0.75
0.5
]
[
0.75
0.5
0.5
]
[
0
0.5
0.75
]
[
0.75
0
0.5
]
[
0.5
0
0.25
]
[
0.5
0.75
0.5
]
[
0.5
0.25
0.5
]
[
0.25
0
0.5
]
[
0.5
0
0.75
]
[
0.75
0.5
0
]
[
0.5
0.5
0.75
]
[
0.5
0.25
0
]
[
0.5
0.75
0
]
[
0.25
0.5
0
]
[
0.5
0.5
0.25
]
[
0.889455
0
0.327473
]
[
0.672527
0.889455
0
]
[
0.672527
0.110545
0
]
[
0.110545
0
0.327473
]
[
0
0.327473
0.110545
]
[
0
0.672527
0.110545
]
[
0
0.327473
0.889455
]
[
0
0.672527
0.889455
]
[
0.889455
0
0.672527
]
[
0.327473
0.889455
0
]
[
0.327473
0.110545
0
]
[
0.110545
0
0.672527
]
[
0.172527
0
0.110545
]
[
0
0.110545
0.827473
]
[
0
0.889455
0.827473
]
[
0.172527
0
0.889455
]
[
0.889455
0.827473
0
]
[
0.889455
0.172527
0
]
[
0.110545
0.827473
0
]
[
0.110545
0.172527
0
]
[
0.827473
0
0.110545
]
[
0
0.889455
0.172527
]
[
0
0.110545
0.172527
]
[
0.827473
0
0.889455
]
[
0.889455
0.5
0.827473
]
[
0.672527
0.389455
0.5
]
[
0.672527
0.610545
0.5
]
[
0.110545
0.5
0.827473
]
[
0
0.827473
0.610545
]
[
0
0.172527
0.610545
]
[
0
0.827473
0.389455
]
[
0
0.172527
0.389455
]
[
0.889455
0.5
0.172527
]
[
0.327473
0.389455
0.5
]
[
0.327473
0.610545
0.5
]
[
0.110545
0.5
0.172527
]
[
0.172527
0.5
0.610545
]
[
0
0.610545
0.327473
]
[
0
0.389455
0.327473
]
[
0.172527
0.5
0.389455
]
[
0.889455
0.327473
0.5
]
[
0.889455
0.672527
0.5
]
[
0.110545
0.327473
0.5
]
[
0.110545
0.672527
0.5
]
[
0.827473
0.5
0.610545
]
[
0
0.389455
0.672527
]
[
0
0.610545
0.672527
]
[
0.827473
0.5
0.389455
]
[
0.389455
0
0.827473
]
[
0.172527
0.889455
0.5
]
[
0.172527
0.110545
0.5
]
[
0.610545
0
0.827473
]
[
0.5
0.327473
0.610545
]
[
0.5
0.672527
0.610545
]
[
0.5
0.327473
0.389455
]
[
0.5
0.672527
0.389455
]
[
0.389455
0
0.172527
]
[
0.827473
0.889455
0.5
]
[
0.827473
0.110545
0.5
]
[
0.610545
0
0.172527
]
[
0.672527
0
0.610545
]
[
0.5
0.110545
0.327473
]
[
0.5
0.889455
0.327473
]
[
0.672527
0
0.389455
]
[
0.389455
0.827473
0.5
]
[
0.389455
0.172527
0.5
]
[
0.610545
0.827473
0.5
]
[
0.610545
0.172527
0.5
]
[
0.327473
0
0.610545
]
[
0.5
0.889455
0.672527
]
[
0.5
0.110545
0.672527
]
[
0.327473
0
0.389455
]
[
0.389455
0.5
0.327473
]
[
0.172527
0.389455
0
]
[
0.172527
0.610545
0
]
[
0.610545
0.5
0.327473
]
[
0.5
0.827473
0.110545
]
[
0.5
0.172527
0.110545
]
[
0.5
0.827473
0.889455
]
[
0.5
0.172527
0.889455
]
[
0.389455
0.5
0.672527
]
[
0.827473
0.389455
0
]
[
0.827473
0.610545
0
]
[
0.610545
0.5
0.672527
]
[
0.672527
0.5
0.110545
]
[
0.5
0.610545
0.827473
]
[
0.5
0.389455
0.827473
]
[
0.672527
0.5
0.889455
]
[
0.389455
0.327473
0
]
[
0.389455
0.672527
0
]
[
0.610545
0.327473
0
]
[
0.610545
0.672527
0
]
[
0.327473
0.5
0.110545
]
[
0.5
0.389455
0.172527
]
[
0.5
0.610545
0.172527
]
[
0.327473
0.5
0.889455
]
]
}
"species" {
"source-value" [
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"In"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
"I"
]
}
"a" {
"source-value" 20.43160814
"source-unit" "angstrom"
}
"cohesive-potential-energy" {
"source-value" 1.99976666
"source-unit" "eV"
}
}