{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I-43d" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.125 0 ] [ 0.5 0.75 0.875 ] [ 0.75 0.875 0.5 ] [ 0.125 0 0.75 ] [ 0.875 0.5 0.75 ] [ 0 0.75 0.125 ] [ 0.25 0.625 0.5 ] [ 0 0.25 0.375 ] [ 0.25 0.375 0 ] [ 0.625 0.5 0.25 ] [ 0.375 0 0.25 ] [ 0.5 0.25 0.625 ] [ 0.824411 0.824411 0.824411 ] [ 0.675589 0.824411 0.175589 ] [ 0.824411 0.175589 0.675589 ] [ 0.925589 0.574411 0.425589 ] [ 0.175589 0.675589 0.824411 ] [ 0.425589 0.925589 0.574411 ] [ 0.574411 0.425589 0.925589 ] [ 0.074411 0.074411 0.074411 ] [ 0.324411 0.324411 0.324411 ] [ 0.175589 0.324411 0.675589 ] [ 0.324411 0.675589 0.175589 ] [ 0.425589 0.074411 0.925589 ] [ 0.675589 0.175589 0.324411 ] [ 0.925589 0.425589 0.074411 ] [ 0.074411 0.925589 0.425589 ] [ 0.574411 0.574411 0.574411 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 8.94662321307 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.891085522142857 "source-unit" "eV" } }