{
"property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal"
"instance-id" 1
"space-group" {
"source-value" "Fm-3m"
}
"basis-atom-coordinates" {
"source-value" [
[
0.205052
0
0
]
[
0
0
0.205052
]
[
0
0
0.794948
]
[
0
0.205052
0
]
[
0
0.794948
0
]
[
0.794948
0
0
]
[
0.205052
0.5
0.5
]
[
0
0.5
0.705052
]
[
0
0.5
0.294948
]
[
0
0.705052
0.5
]
[
0
0.294948
0.5
]
[
0.794948
0.5
0.5
]
[
0.705052
0
0.5
]
[
0.5
0
0.705052
]
[
0.5
0
0.294948
]
[
0.5
0.205052
0.5
]
[
0.5
0.794948
0.5
]
[
0.294948
0
0.5
]
[
0.705052
0.5
0
]
[
0.5
0.5
0.205052
]
[
0.5
0.5
0.794948
]
[
0.5
0.705052
0
]
[
0.5
0.294948
0
]
[
0.294948
0.5
0
]
[
0.670488
0.829512
0.329512
]
[
0.170488
0.170488
0.829512
]
[
0.170488
0.829512
0.170488
]
[
0.329512
0.829512
0.329512
]
[
0.829512
0.170488
0.829512
]
[
0.670488
0.170488
0.670488
]
[
0
0
0.5
]
[
0
0.75
0.75
]
[
0.25
0
0.75
]
[
0.75
0
0.75
]
[
0
0.75
0.25
]
[
0.25
0.75
0
]
[
0.75
0.75
0
]
[
0.122614
0.877386
0.377386
]
[
0.622614
0.122614
0.877386
]
[
0.877386
0.877386
0.377386
]
[
0.622614
0.877386
0.122614
]
[
0.122614
0.122614
0.622614
]
[
0.377386
0.122614
0.877386
]
[
0.377386
0.877386
0.122614
]
[
0.877386
0.122614
0.622614
]
[
0.329512
0.170488
0.670488
]
[
0.829512
0.829512
0.170488
]
[
0.670488
0.329512
0.829512
]
[
0.170488
0.670488
0.329512
]
[
0.170488
0.329512
0.670488
]
[
0.329512
0.329512
0.829512
]
[
0.829512
0.670488
0.329512
]
[
0.670488
0.670488
0.170488
]
[
0
0.5
0
]
[
0
0.25
0.25
]
[
0.25
0.5
0.25
]
[
0.75
0.5
0.25
]
[
0
0.25
0.75
]
[
0.25
0.25
0.5
]
[
0.75
0.25
0.5
]
[
0.122614
0.377386
0.877386
]
[
0.622614
0.622614
0.377386
]
[
0.877386
0.377386
0.877386
]
[
0.622614
0.377386
0.622614
]
[
0.122614
0.622614
0.122614
]
[
0.377386
0.622614
0.377386
]
[
0.377386
0.377386
0.622614
]
[
0.877386
0.622614
0.122614
]
[
0.329512
0.670488
0.170488
]
[
0.829512
0.329512
0.670488
]
[
0.170488
0.829512
0.829512
]
[
0.670488
0.170488
0.329512
]
[
0.670488
0.829512
0.670488
]
[
0.829512
0.829512
0.829512
]
[
0.329512
0.170488
0.329512
]
[
0.170488
0.170488
0.170488
]
[
0.5
0
0
]
[
0.5
0.75
0.25
]
[
0.75
0
0.25
]
[
0.25
0
0.25
]
[
0.5
0.75
0.75
]
[
0.75
0.75
0.5
]
[
0.25
0.75
0.5
]
[
0.622614
0.877386
0.877386
]
[
0.122614
0.122614
0.377386
]
[
0.377386
0.877386
0.877386
]
[
0.122614
0.877386
0.622614
]
[
0.622614
0.122614
0.122614
]
[
0.877386
0.122614
0.377386
]
[
0.877386
0.877386
0.622614
]
[
0.377386
0.122614
0.122614
]
[
0.829512
0.170488
0.170488
]
[
0.329512
0.829512
0.670488
]
[
0.170488
0.329512
0.329512
]
[
0.670488
0.670488
0.829512
]
[
0.670488
0.329512
0.170488
]
[
0.829512
0.329512
0.329512
]
[
0.329512
0.670488
0.829512
]
[
0.170488
0.670488
0.670488
]
[
0.5
0.5
0.5
]
[
0.5
0.25
0.75
]
[
0.75
0.5
0.75
]
[
0.25
0.5
0.75
]
[
0.5
0.25
0.25
]
[
0.75
0.25
0
]
[
0.25
0.25
0
]
[
0.622614
0.377386
0.377386
]
[
0.122614
0.622614
0.877386
]
[
0.377386
0.377386
0.377386
]
[
0.122614
0.377386
0.122614
]
[
0.622614
0.622614
0.622614
]
[
0.877386
0.622614
0.877386
]
[
0.877386
0.377386
0.122614
]
[
0.377386
0.622614
0.622614
]
[
0.829512
0.670488
0.670488
]
[
0.329512
0.329512
0.170488
]
]
}
"species" {
"source-value" [
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Er"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
"Zn"
]
}
"short-name" {
"source-value" [
"fcc"
]
}
"a" {
"source-value" 12.6445900521
"source-unit" "angstrom"
}
"cohesive-potential-energy" {
"source-value" 2.252069715172414
"source-unit" "eV"
}
}