{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.262142 0.737858 0.129635 ] [ 0.737858 0.262142 0.129635 ] [ 0.762142 0.762142 0.370365 ] [ 0.237858 0.237858 0.370365 ] [ 0.762142 0.237858 0.629635 ] [ 0.237858 0.762142 0.629635 ] [ 0.262142 0.262142 0.870365 ] [ 0.737858 0.737858 0.870365 ] ] } "species" { "source-value" [ "Cu" "Cu" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.60654501082 "source-unit" "angstrom" } "c" { "source-value" 11.2486814425 "source-unit" "angstrom" } }