{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.735749 0.161319 0.6574 ] [ 0.235749 0.338681 0.3426 ] [ 0.264251 0.661319 0.8426 ] [ 0.764251 0.838681 0.1574 ] [ 0.323898 0.648086 0.584983 ] [ 0.823898 0.851914 0.415017 ] [ 0.676102 0.148086 0.915017 ] [ 0.176102 0.351914 0.084983 ] [ 0.96848 0.107532 0.483497 ] [ 0.46848 0.392468 0.516503 ] [ 0.03152 0.607532 0.016503 ] [ 0.53152 0.892468 0.983497 ] [ 0.662002 0.065045 0.328444 ] [ 0.162002 0.434955 0.671556 ] [ 0.337998 0.565045 0.171556 ] [ 0.837998 0.934955 0.828444 ] [ 0.193609 0.904025 0.65901 ] [ 0.693609 0.595975 0.34099 ] [ 0.806391 0.404025 0.84099 ] [ 0.306391 0.095975 0.15901 ] [ 0.61802 0.649797 0.670489 ] [ 0.11802 0.850203 0.329511 ] [ 0.38198 0.149797 0.829511 ] [ 0.88198 0.350203 0.170489 ] [ 0.517421 0.866959 0.50288 ] [ 0.017421 0.633041 0.49712 ] [ 0.482579 0.366959 0.99712 ] [ 0.982579 0.133041 0.00288 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cr" "Cr" "Cr" "Cr" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.07024659 "source-unit" "angstrom" } "b" { "source-value" 5.81609968 "source-unit" "angstrom" } "c" { "source-value" 14.20079584 "source-unit" "angstrom" } }