{ "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" [ [ 0.523013 0.25 0.22838 ] [ 0.476987 0.75 0.77162 ] [ 0.029445 0.75 0.272604 ] [ 0.970555 0.25 0.727396 ] [ 0.584886 0.75 0.098813 ] [ 0.085831 0.25 0.403795 ] [ 0.914169 0.75 0.596205 ] [ 0.415114 0.25 0.901187 ] [ 0.357717 0.25 0.050327 ] [ 0.278247 0.75 0.123246 ] [ 0.734001 0.951794 0.171799 ] [ 0.734001 0.548206 0.171799 ] [ 0.234164 0.047024 0.33006 ] [ 0.234164 0.452976 0.33006 ] [ 0.782559 0.25 0.375776 ] [ 0.8554 0.75 0.447455 ] [ 0.1446 0.25 0.552545 ] [ 0.217441 0.75 0.624224 ] [ 0.765836 0.952976 0.66994 ] [ 0.765836 0.547024 0.66994 ] [ 0.265999 0.451794 0.828201 ] [ 0.265999 0.048206 0.828201 ] [ 0.721753 0.25 0.876754 ] [ 0.642283 0.75 0.949673 ] ] } "species" { "source-value" [ "V" "V" "Fe" "Fe" "P" "P" "P" "P" "O" "O" "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" 4.91267515 "source-unit" "angstrom" } "b" { "source-value" 5.91667045 "source-unit" "angstrom" } "c" { "source-value" 10.0481827 "source-unit" "angstrom" } "beta" { "source-value" 90.15216564 "source-unit" "degree" } }