{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.37092 0.75 ] [ 0 0.62908 0.25 ] [ 0.5 0.87092 0.75 ] [ 0.5 0.12908 0.25 ] [ 0.161639 0.706575 0.655053 ] [ 0.838361 0.706575 0.844947 ] [ 0.838361 0.293425 0.344947 ] [ 0.161639 0.293425 0.155053 ] [ 0.661639 0.206575 0.655053 ] [ 0.338361 0.206575 0.844947 ] [ 0.338361 0.793425 0.344947 ] [ 0.661639 0.793425 0.155053 ] [ 0.206424 0.405361 0.850611 ] [ 0.793576 0.405361 0.649389 ] [ 0.793576 0.594639 0.149389 ] [ 0.206424 0.594639 0.350611 ] [ 0.070952 0.499818 0.521562 ] [ 0.929048 0.499818 0.978438 ] [ 0 0.946857 0.25 ] [ 0 0.053143 0.75 ] [ 0.070952 0.500182 0.021562 ] [ 0.929048 0.500182 0.478438 ] [ 0.706424 0.905361 0.850611 ] [ 0.293576 0.905361 0.649389 ] [ 0.293576 0.094639 0.149389 ] [ 0.706424 0.094639 0.350611 ] [ 0.570952 0.999818 0.521562 ] [ 0.429048 0.999818 0.978438 ] [ 0.5 0.446857 0.25 ] [ 0.5 0.553143 0.75 ] [ 0.570952 0.000182 0.021562 ] [ 0.429048 0.000182 0.478438 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "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" 18.1641752062 "source-unit" "angstrom" } "b" { "source-value" 5.15180265687 "source-unit" "angstrom" } "c" { "source-value" 5.58459241923 "source-unit" "angstrom" } "beta" { "source-value" 94.7588897423 "source-unit" "degree" } }