{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.674503 0 0.309222 ] [ 0.325497 0 0.690778 ] [ 0.174503 0.5 0.309222 ] [ 0.825497 0.5 0.690778 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.844466 0 0.772361 ] [ 0.155534 0 0.227639 ] [ 0.344466 0.5 0.772361 ] [ 0.655534 0.5 0.227639 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "C" "C" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.04643198341 "source-unit" "angstrom" } "b" { "source-value" 5.0026374942 "source-unit" "angstrom" } "c" { "source-value" 5.57815905563 "source-unit" "angstrom" } "beta" { "source-value" 109.997009481 "source-unit" "degree" } }