{ "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" [ [ 0.078088 0 0.802897 ] [ 0.921912 0 0.197103 ] [ 0.578088 0.5 0.802897 ] [ 0.421912 0.5 0.197103 ] [ 0.202615 0.748618 0.279443 ] [ 0.797385 0.251382 0.720557 ] [ 0 0.5 0.5 ] [ 0.202615 0.251382 0.279443 ] [ 0.797385 0.748618 0.720557 ] [ 0.702615 0.248618 0.279443 ] [ 0.297385 0.751382 0.720557 ] [ 0.5 0 0.5 ] [ 0.702615 0.751382 0.279443 ] [ 0.297385 0.248618 0.720557 ] [ 0.961453 0.5 0.058992 ] [ 0.038547 0.5 0.941008 ] [ 0.881363 0.5 0.603495 ] [ 0.118637 0.5 0.396505 ] [ 0.461453 0 0.058992 ] [ 0.538547 0 0.941008 ] [ 0.381363 0 0.603495 ] [ 0.618637 0 0.396505 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.3212326618 "source-unit" "angstrom" } "b" { "source-value" 5.13167770382 "source-unit" "angstrom" } "c" { "source-value" 8.11457204276 "source-unit" "angstrom" } "beta" { "source-value" 143.455225043 "source-unit" "degree" } }