{ "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 0.5 ] [ 0 0.5 0.5 ] [ 0.999327 0 0.824515 ] [ 0.000673 0 0.175485 ] [ 0.499327 0.5 0.824515 ] [ 0.500673 0.5 0.175485 ] [ 0.125553 0 0.78867 ] [ 0.871494 0 0.872558 ] [ 0.869394 0 0.537167 ] [ 0.874447 0 0.21133 ] [ 0.130606 0 0.462833 ] [ 0.128506 0 0.127442 ] [ 0.625553 0.5 0.78867 ] [ 0.371494 0.5 0.872558 ] [ 0.369394 0.5 0.537167 ] [ 0.374447 0.5 0.21133 ] [ 0.630606 0.5 0.462833 ] [ 0.628506 0.5 0.127442 ] [ 0.998748 0.5 0.168941 ] [ 0.001252 0.5 0.831059 ] [ 0.498748 0 0.168941 ] [ 0.501252 0 0.831059 ] ] } "species" { "source-value" [ "Na" "Na" "W" "W" "W" "W" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 18.255676577 "source-unit" "angstrom" } "b" { "source-value" 3.8742442322 "source-unit" "angstrom" } "c" { "source-value" 11.2704792108 "source-unit" "angstrom" } "beta" { "source-value" 128.910171602 "source-unit" "degree" } }