{ "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 0.686532 0.5 ] [ 0 0.313468 0.5 ] [ 0.5 0.186532 0.5 ] [ 0.5 0.813468 0.5 ] [ 0.782355 0 0.091358 ] [ 0.217645 0 0.908642 ] [ 0.282355 0.5 0.091358 ] [ 0.717645 0.5 0.908642 ] [ 0.77105 0.852111 0.273483 ] [ 0.77105 0.147889 0.273483 ] [ 0.629629 0 0.790068 ] [ 0.370371 0 0.209932 ] [ 0 0 0 ] [ 0.22895 0.147889 0.726517 ] [ 0.22895 0.852111 0.726517 ] [ 0.27105 0.352111 0.273483 ] [ 0.27105 0.647889 0.273483 ] [ 0.129629 0.5 0.790068 ] [ 0.870371 0.5 0.209932 ] [ 0.5 0.5 0 ] [ 0.72895 0.647889 0.726517 ] [ 0.72895 0.352111 0.726517 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "P" "P" "P" "P" "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" 6.65532523 "source-unit" "angstrom" } "b" { "source-value" 8.69673316 "source-unit" "angstrom" } "c" { "source-value" 4.54752205 "source-unit" "angstrom" } "beta" { "source-value" 101.46868557 "source-unit" "degree" } }