{ "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" [ [ 0.5 0.166856 0 ] [ 0.5 0.833144 0 ] [ 0 0.666856 0 ] [ 0 0.333144 0 ] [ 0.944786 0 0.835119 ] [ 0.055214 0 0.164881 ] [ 0.444786 0.5 0.835119 ] [ 0.555214 0.5 0.164881 ] [ 0.75083 0.172867 0.770769 ] [ 0.24917 0.172867 0.229231 ] [ 0.730479 0 0.229346 ] [ 0.269521 0 0.770654 ] [ 0.75083 0.827133 0.770769 ] [ 0.24917 0.827133 0.229231 ] [ 0.25083 0.672867 0.770769 ] [ 0.74917 0.672867 0.229231 ] [ 0.230479 0.5 0.229346 ] [ 0.769521 0.5 0.770654 ] [ 0.25083 0.327133 0.770769 ] [ 0.74917 0.327133 0.229231 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.8195492 "source-unit" "angstrom" } "b" { "source-value" 10.08404284 "source-unit" "angstrom" } "c" { "source-value" 6.89594751 "source-unit" "angstrom" } "beta" { "source-value" 106.22097696 "source-unit" "degree" } }