{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.988046 0 0.995438 ] [ 0.51281 0.5 0.836096 ] [ 0.004438 0 0.667483 ] [ 0.500757 0.5 0.500007 ] [ 0.999165 0 0.333126 ] [ 0.495904 0.5 0.166185 ] [ 0.812455 0.5 0.930728 ] [ 0.316994 0 0.902781 ] [ 0.683032 0 0.761992 ] [ 0.187697 0.5 0.7393 ] [ 0.820279 0.5 0.597015 ] [ 0.317938 0 0.570267 ] [ 0.68259 0 0.429949 ] [ 0.181749 0.5 0.403662 ] [ 0.816365 0.5 0.263061 ] [ 0.317374 0 0.237243 ] [ 0.682421 0 0.097297 ] [ 0.179986 0.5 0.068366 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.73515555 "source-unit" "angstrom" } "b" { "source-value" 3.09575047 "source-unit" "angstrom" } "c" { "source-value" 13.91462365 "source-unit" "angstrom" } "beta" { "source-value" 90.40670833 "source-unit" "degree" } }