{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0 0.185057 0.693262 ] [ 0.814943 0.693262 0 ] [ 0.306738 0 0.185057 ] [ 0.814943 0.306738 0 ] [ 0.693262 0 0.814943 ] [ 0.185057 0.306738 0 ] [ 0.306738 0 0.814943 ] [ 0.693262 0 0.185057 ] [ 0.185057 0.693262 0 ] [ 0 0.814943 0.693262 ] [ 0 0.185057 0.306738 ] [ 0 0.814943 0.306738 ] [ 0.5 0.685057 0.193262 ] [ 0.314943 0.193262 0.5 ] [ 0.806738 0.5 0.685057 ] [ 0.314943 0.806738 0.5 ] [ 0.193262 0.5 0.314943 ] [ 0.685057 0.806738 0.5 ] [ 0.806738 0.5 0.314943 ] [ 0.193262 0.5 0.685057 ] [ 0.685057 0.193262 0.5 ] [ 0.5 0.314943 0.193262 ] [ 0.5 0.685057 0.806738 ] [ 0.5 0.314943 0.806738 ] [ 0.122118 0 0.5 ] [ 0.5 0 0.377882 ] [ 0.5 0.877882 0 ] [ 0 0.5 0.122118 ] [ 0 0.622118 0.5 ] [ 0.377882 0.5 0 ] [ 0.622118 0.5 0 ] [ 0 0.5 0.877882 ] [ 0 0.377882 0.5 ] [ 0.5 0 0.622118 ] [ 0.5 0.122118 0 ] [ 0.877882 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" ] } "a" { "source-value" 10.0652271526 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.352613684210526 "source-unit" "eV" } }