{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.885828 0.181921 0.5 ] [ 0.818079 0.885828 0.5 ] [ 0.181921 0.114172 0.5 ] [ 0.114172 0.818079 0.5 ] [ 0.5 0.5 0.5 ] [ 0.385828 0.681921 0 ] [ 0.318079 0.385828 0 ] [ 0.681921 0.614172 0 ] [ 0.614172 0.318079 0 ] [ 0.290036 0.936978 0 ] [ 0.063022 0.290036 0 ] [ 0.936978 0.709964 0 ] [ 0.709964 0.063022 0 ] [ 0.790036 0.436978 0.5 ] [ 0.563022 0.790036 0.5 ] [ 0.436978 0.209964 0.5 ] [ 0.209964 0.563022 0.5 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.89128979757 "source-unit" "angstrom" } "c" { "source-value" 3.44433828572 "source-unit" "angstrom" } }