{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.671841 0.483263 ] [ 0.5 0.328159 0.516737 ] [ 0.5 0.828159 0.983263 ] [ 0.5 0.171841 0.016737 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.908448 0.2528 ] [ 0.5 0.091552 0.7472 ] [ 0.5 0.408448 0.2472 ] [ 0.5 0.591552 0.7528 ] [ 0 0.330219 0.711578 ] [ 0 0.669781 0.288422 ] [ 0 0.830219 0.788422 ] [ 0 0.169781 0.211578 ] [ 0 0.974044 0.099976 ] [ 0 0.025956 0.900024 ] [ 0 0.474044 0.400024 ] [ 0 0.525956 0.599976 ] [ 0.5 0.162644 0.322979 ] [ 0.5 0.837356 0.677021 ] [ 0.5 0.662644 0.177021 ] [ 0.5 0.337356 0.822979 ] [ 0 0.345116 0.091511 ] [ 0 0.654884 0.908489 ] [ 0 0.845116 0.408489 ] [ 0 0.154884 0.591511 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ga" "Ga" "Ga" "Ga" "Sb" "Sb" "Sb" "Sb" "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" 4.49567372 "source-unit" "angstrom" } "b" { "source-value" 12.16568715 "source-unit" "angstrom" } "c" { "source-value" 14.10627636 "source-unit" "angstrom" } }