{ "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" [ [ 0.5 0.884951 0.75 ] [ 0.5 0.115049 0.25 ] [ 0 0.384951 0.75 ] [ 0 0.615049 0.25 ] [ 0 0.91755 0.75 ] [ 0 0.08245 0.25 ] [ 0.5 0.41755 0.75 ] [ 0.5 0.58245 0.25 ] [ 0.236637 0.165997 0.286964 ] [ 0.779721 0.956512 0.238888 ] [ 0.236637 0.834003 0.786964 ] [ 0.779721 0.043488 0.738888 ] [ 0.763363 0.834003 0.713036 ] [ 0.763363 0.165997 0.213036 ] [ 0.220279 0.043488 0.761112 ] [ 0.220279 0.956512 0.261112 ] [ 0.736637 0.665997 0.286964 ] [ 0.279721 0.456512 0.238888 ] [ 0.736637 0.334003 0.786964 ] [ 0.279721 0.543488 0.738888 ] [ 0.263363 0.334003 0.713036 ] [ 0.263363 0.665997 0.213036 ] [ 0.720279 0.543488 0.761112 ] [ 0.720279 0.456512 0.261112 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "W" "W" "W" "W" "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" 6.51965093955 "source-unit" "angstrom" } "b" { "source-value" 13.4162221594 "source-unit" "angstrom" } "c" { "source-value" 4.88071875302 "source-unit" "angstrom" } "beta" { "source-value" 131.6085549 "source-unit" "degree" } }