{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.239591 0.75 0.083269 ] [ 0.750218 0.996262 0.261707 ] [ 0.750218 0.503738 0.261707 ] [ 0.249782 0.496262 0.738293 ] [ 0.249782 0.003738 0.738293 ] [ 0.760409 0.25 0.916731 ] [ 0.213798 0.25 0.355945 ] [ 0.786202 0.75 0.644055 ] [ 0.29668 0.75 0.415505 ] [ 0.70332 0.25 0.584495 ] [ 0.264733 0.25 0.064279 ] [ 0.735267 0.75 0.935721 ] [ 0.714262 0.75 0.080131 ] [ 0.038829 0.25 0.127164 ] [ 0.468632 0.25 0.150181 ] [ 0.221993 0.93706 0.32094 ] [ 0.221993 0.56294 0.32094 ] [ 0.594391 0.75 0.443662 ] [ 0.841433 0.25 0.431047 ] [ 0.158567 0.75 0.568953 ] [ 0.405609 0.25 0.556338 ] [ 0.778007 0.43706 0.67906 ] [ 0.778007 0.06294 0.67906 ] [ 0.531368 0.75 0.849819 ] [ 0.961171 0.75 0.872836 ] [ 0.285738 0.25 0.919869 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Mg" "Mg" "P" "P" "C" "C" "O" "O" "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" 5.18660179 "source-unit" "angstrom" } "b" { "source-value" 6.68605082 "source-unit" "angstrom" } "c" { "source-value" 8.92754214 "source-unit" "angstrom" } "beta" { "source-value" 90.36442477 "source-unit" "degree" } }