{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pm-3n" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.5 ] [ 0 0.75 0.5 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.75 0.5 0 ] [ 0.25 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.381725 0.192831 ] [ 0.5 0.618275 0.807169 ] [ 0.381725 0.192831 0.5 ] [ 0.618275 0.192831 0.5 ] [ 0.192831 0.5 0.381725 ] [ 0.807169 0.5 0.381725 ] [ 0 0.692831 0.118275 ] [ 0 0.307169 0.881725 ] [ 0.25 0 0.5 ] [ 0.75 0 0.5 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0.75 0 ] [ 0.5 0.25 0 ] [ 0.184188 0.184188 0.184188 ] [ 0.684188 0.315812 0.684188 ] [ 0.684188 0.684188 0.315812 ] [ 0.315812 0.684188 0.684188 ] [ 0.815812 0.815812 0.184188 ] [ 0.184188 0.815812 0.815812 ] [ 0.815812 0.184188 0.815812 ] [ 0.315812 0.315812 0.315812 ] [ 0.815812 0.815812 0.815812 ] [ 0.315812 0.684188 0.315812 ] [ 0.315812 0.315812 0.684188 ] [ 0.684188 0.315812 0.315812 ] [ 0.184188 0.184188 0.815812 ] [ 0.815812 0.184188 0.184188 ] [ 0.184188 0.815812 0.184188 ] [ 0.684188 0.684188 0.684188 ] [ 0 0.307169 0.118275 ] [ 0.5 0.381725 0.807169 ] [ 0.5 0.618275 0.192831 ] [ 0.618275 0.807169 0.5 ] [ 0.381725 0.807169 0.5 ] [ 0.192831 0.5 0.618275 ] [ 0.807169 0.5 0.618275 ] [ 0.118275 0 0.307169 ] [ 0.307169 0.118275 0 ] [ 0.692831 0.881725 0 ] [ 0.118275 0 0.692831 ] [ 0.692831 0.118275 0 ] [ 0.881725 0 0.307169 ] [ 0.881725 0 0.692831 ] [ 0.307169 0.881725 0 ] [ 0 0.692831 0.881725 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" 12.73221343 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.7166975051851847 "source-unit" "eV" } }