{ "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" [ [ 0.72941 0.8156 0.857908 ] [ 0.22941 0.6844 0.142092 ] [ 0.27059 0.3156 0.642092 ] [ 0.77059 0.1844 0.357908 ] [ 0.181079 0.303472 0.927031 ] [ 0.681079 0.196528 0.072969 ] [ 0.818921 0.803472 0.572969 ] [ 0.318921 0.696528 0.427031 ] [ 0.240224 0.580173 0.906356 ] [ 0.740224 0.919827 0.093644 ] [ 0.759776 0.080173 0.593644 ] [ 0.259776 0.419827 0.406356 ] [ 0.249512 0.121641 0.83252 ] [ 0.749512 0.378359 0.16748 ] [ 0.750488 0.621641 0.66748 ] [ 0.250488 0.878359 0.33252 ] [ 0.670841 0.723176 0.457442 ] [ 0.170841 0.776824 0.542558 ] [ 0.329159 0.223176 0.042558 ] [ 0.829159 0.276824 0.957442 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Si" "Si" "Si" "Si" "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" 4.63802156 "source-unit" "angstrom" } "b" { "source-value" 5.69167359 "source-unit" "angstrom" } "c" { "source-value" 12.7079093 "source-unit" "angstrom" } }