{ "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" [ [ 0.242017 0.75 0.071874 ] [ 0.750734 0.999455 0.244289 ] [ 0.750734 0.500545 0.244289 ] [ 0.249266 0.499455 0.755711 ] [ 0.249266 0.000545 0.755711 ] [ 0.757983 0.25 0.928126 ] [ 0.217324 0.25 0.328205 ] [ 0.782676 0.75 0.671795 ] [ 0.270922 0.25 0.063849 ] [ 0.729078 0.75 0.936151 ] [ 0.289734 0.75 0.423154 ] [ 0.710266 0.25 0.576846 ] [ 0.698196 0.75 0.082108 ] [ 0.03645 0.25 0.131496 ] [ 0.469491 0.25 0.169545 ] [ 0.212978 0.946002 0.309219 ] [ 0.212978 0.553998 0.309219 ] [ 0.609592 0.75 0.464286 ] [ 0.864997 0.25 0.415723 ] [ 0.135003 0.75 0.584277 ] [ 0.390408 0.25 0.535714 ] [ 0.787022 0.446002 0.690781 ] [ 0.787022 0.053998 0.690781 ] [ 0.530509 0.75 0.830455 ] [ 0.96355 0.75 0.868504 ] [ 0.301804 0.25 0.917892 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cr" "Cr" "B" "B" "As" "As" "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" 5.3178847 "source-unit" "angstrom" } "b" { "source-value" 6.74536202 "source-unit" "angstrom" } "c" { "source-value" 9.11699771 "source-unit" "angstrom" } "beta" { "source-value" 91.74597331 "source-unit" "degree" } }