{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.132403 0.079151 ] [ 0.5 0.357531 0.912078 ] [ 0 0.632403 0.920849 ] [ 0 0.141696 0.7547 ] [ 0.5 0.866811 0.744357 ] [ 0.5 0.363977 0.582231 ] [ 0 0.638815 0.584096 ] [ 0 0.138815 0.415904 ] [ 0.5 0.863977 0.417769 ] [ 0.5 0.366811 0.255643 ] [ 0 0.641696 0.2453 ] [ 0.5 0.857531 0.087922 ] [ 0.5 0.574619 0.08349 ] [ 0.5 0.074619 0.91651 ] [ 0 0.424442 0.751022 ] [ 0 0.925421 0.584055 ] [ 0 0.425421 0.415945 ] [ 0 0.924442 0.248978 ] [ 0 0.923368 0.915389 ] [ 0.5 0.57426 0.749679 ] [ 0.5 0.076597 0.582134 ] [ 0.5 0.576597 0.417866 ] [ 0.5 0.07426 0.250321 ] [ 0 0.423368 0.084611 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.84985737 "source-unit" "angstrom" } "b" { "source-value" 12.07031905 "source-unit" "angstrom" } "c" { "source-value" 13.47430665 "source-unit" "angstrom" } }