{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imm2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.924152 0.751517 ] [ 0.5 0.924152 0.248483 ] [ 0 0.424152 0.251517 ] [ 0 0.424152 0.748483 ] [ 0.5 0.516025 0 ] [ 0 0.016025 0.5 ] [ 0 0.025333 0 ] [ 0.5 0.525333 0.5 ] [ 0 0.042696 0.237497 ] [ 0 0.042696 0.762503 ] [ 0.256751 0.819923 0 ] [ 0.743249 0.819923 0 ] [ 0.222788 0.277549 0 ] [ 0.777212 0.277549 0 ] [ 0.5 0.542696 0.737497 ] [ 0.5 0.542696 0.262503 ] [ 0.756751 0.319923 0.5 ] [ 0.243249 0.319923 0.5 ] [ 0.722788 0.777549 0.5 ] [ 0.277212 0.777549 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Pd" "Pd" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.63517213 "source-unit" "angstrom" } "b" { "source-value" 6.10287673 "source-unit" "angstrom" } "c" { "source-value" 8.12921365 "source-unit" "angstrom" } }