{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.992122 0.698084 ] [ 0.25 0.007878 0.301916 ] [ 0.75 0.492122 0.801916 ] [ 0.25 0.507878 0.198084 ] [ 0.75 0.313933 0.409451 ] [ 0.25 0.186067 0.909451 ] [ 0.25 0.686067 0.590549 ] [ 0.75 0.813933 0.090549 ] [ 0.25 0.802344 0.915168 ] [ 0.25 0.302344 0.584832 ] [ 0.75 0.697656 0.415168 ] [ 0.75 0.197656 0.084832 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sb" "Sb" "Sb" "Sb" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.64081112 "source-unit" "angstrom" } "b" { "source-value" 7.4002005 "source-unit" "angstrom" } "c" { "source-value" 7.96904118 "source-unit" "angstrom" } }