{ "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" [ [ 0.499485 0.798531 0.719621 ] [ 0.034187 0.625197 0.571776 ] [ 0.465813 0.374803 0.071776 ] [ 0.000515 0.201469 0.219621 ] [ 0.500515 0.298531 0.780379 ] [ 0.965813 0.125197 0.928224 ] [ 0.534187 0.874803 0.428224 ] [ 0.999485 0.701469 0.280379 ] [ 0.972832 0.551647 0.94766 ] [ 0.527168 0.448353 0.44766 ] [ 0.027168 0.051647 0.55234 ] [ 0.472832 0.948353 0.05234 ] [ 0.753364 0.600122 0.421117 ] [ 0.746636 0.399878 0.921117 ] [ 0.246636 0.100122 0.078883 ] [ 0.253364 0.899878 0.578883 ] [ 0.272827 0.734175 0.997823 ] [ 0.772827 0.765825 0.002177 ] [ 0.006204 0.648055 0.764539 ] [ 0.249455 0.610341 0.41069 ] [ 0.485738 0.511295 0.64815 ] [ 0.014262 0.488705 0.14815 ] [ 0.250545 0.389659 0.91069 ] [ 0.493796 0.351945 0.264539 ] [ 0.227173 0.265825 0.497823 ] [ 0.727173 0.234175 0.502177 ] [ 0.993796 0.148055 0.735461 ] [ 0.750545 0.110341 0.08931 ] [ 0.514262 0.011295 0.85185 ] [ 0.985738 0.988705 0.35185 ] [ 0.749455 0.889659 0.58931 ] [ 0.506204 0.851945 0.235461 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "O" "O" "O" "O" "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" 5.44813993 "source-unit" "angstrom" } "b" { "source-value" 7.20342132 "source-unit" "angstrom" } "c" { "source-value" 9.60725539 "source-unit" "angstrom" } }