{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc2m" } "basis-atom-coordinates" { "source-value" [ [ 0.987432 0 0.5 ] [ 0.987432 0 0 ] [ 0.487432 0.5 0.5 ] [ 0.487432 0.5 0 ] [ 0.088588 0.279879 0.370178 ] [ 0.088588 0.720121 0.629822 ] [ 0.088588 0.720121 0.870178 ] [ 0.088588 0.279879 0.129822 ] [ 0.588588 0.779879 0.370178 ] [ 0.588588 0.220121 0.629822 ] [ 0.588588 0.220121 0.870178 ] [ 0.588588 0.779879 0.129822 ] [ 0.08889 0.64747 0.25 ] [ 0.08889 0.35253 0.75 ] [ 0.58889 0.14747 0.25 ] [ 0.58889 0.85253 0.75 ] [ 0.750169 0.947424 0.25 ] [ 0.750169 0.052576 0.75 ] [ 0.234282 0.754982 0.424167 ] [ 0.234282 0.245018 0.575833 ] [ 0.234282 0.754982 0.075833 ] [ 0.234282 0.245018 0.924167 ] [ 0.231069 0.895342 0.75 ] [ 0.231069 0.104658 0.25 ] [ 0.250169 0.447424 0.25 ] [ 0.250169 0.552576 0.75 ] [ 0.734282 0.254982 0.424167 ] [ 0.734282 0.745018 0.575833 ] [ 0.734282 0.254982 0.075833 ] [ 0.734282 0.745018 0.924167 ] [ 0.731069 0.395342 0.75 ] [ 0.731069 0.604658 0.25 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Ge" "Ge" "Ge" "Ge" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.61987164604 "source-unit" "angstrom" } "b" { "source-value" 10.8475476737 "source-unit" "angstrom" } "c" { "source-value" 10.89029661 "source-unit" "angstrom" } }