{ "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" [ [ 0.777184 0.25 0.914621 ] [ 0.26033 0.009507 0.724847 ] [ 0.26033 0.490493 0.724847 ] [ 0.73967 0.990493 0.275153 ] [ 0.73967 0.509507 0.275153 ] [ 0.222816 0.75 0.085379 ] [ 0.777011 0.75 0.656363 ] [ 0.222989 0.25 0.343637 ] [ 0.722156 0.25 0.581648 ] [ 0.277844 0.75 0.418352 ] [ 0.709246 0.75 0.939903 ] [ 0.290754 0.25 0.060097 ] [ 0.93719 0.75 0.883968 ] [ 0.322921 0.25 0.9163 ] [ 0.513525 0.75 0.844312 ] [ 0.793096 0.064918 0.681523 ] [ 0.793096 0.435082 0.681523 ] [ 0.135466 0.75 0.568749 ] [ 0.426937 0.25 0.545477 ] [ 0.573063 0.75 0.454523 ] [ 0.864534 0.25 0.431251 ] [ 0.206904 0.564918 0.318477 ] [ 0.206904 0.935082 0.318477 ] [ 0.486475 0.25 0.155688 ] [ 0.677079 0.75 0.0837 ] [ 0.06281 0.25 0.116032 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "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" 5.21257148 "source-unit" "angstrom" } "b" { "source-value" 6.67867519 "source-unit" "angstrom" } "c" { "source-value" 8.84798783 "source-unit" "angstrom" } "beta" { "source-value" 91.69269199 "source-unit" "degree" } }