{ "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" [ [ 0.249254 0.490151 0.229055 ] [ 0.249254 0.009849 0.229055 ] [ 0.750746 0.509849 0.770945 ] [ 0.750746 0.990151 0.770945 ] [ 0.826308 0.75 0.363651 ] [ 0.173692 0.25 0.636349 ] [ 0.740289 0.25 0.398832 ] [ 0.259711 0.75 0.601168 ] [ 0.70679 0.75 0.082997 ] [ 0.29321 0.25 0.917003 ] [ 0.275312 0.25 0.050782 ] [ 0.926417 0.75 0.174869 ] [ 0.509974 0.75 0.149164 ] [ 0.863386 0.064098 0.333905 ] [ 0.863386 0.435902 0.333905 ] [ 0.176725 0.75 0.427062 ] [ 0.459262 0.25 0.378046 ] [ 0.540738 0.75 0.621954 ] [ 0.823275 0.25 0.572938 ] [ 0.136614 0.564098 0.666095 ] [ 0.136614 0.935902 0.666095 ] [ 0.490026 0.25 0.850836 ] [ 0.073583 0.25 0.825131 ] [ 0.724688 0.75 0.949218 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "As" "As" "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" 5.41030328 "source-unit" "angstrom" } "b" { "source-value" 6.66243627 "source-unit" "angstrom" } "c" { "source-value" 9.24387602 "source-unit" "angstrom" } "beta" { "source-value" 96.03461357 "source-unit" "degree" } }