{ "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" [ [ 0.123642 0 0.371673 ] [ 0.876358 0 0.628327 ] [ 0.284284 0.5 0.134811 ] [ 0.715716 0.5 0.865189 ] [ 0.623642 0.5 0.371673 ] [ 0.376358 0.5 0.628327 ] [ 0.784284 0 0.134811 ] [ 0.215716 0 0.865189 ] [ 0.919757 0 0.047025 ] [ 0.080243 0 0.952975 ] [ 0.770983 0.5 0.685593 ] [ 0.229017 0.5 0.314407 ] [ 0.024175 0.5 0.62881 ] [ 0.975825 0.5 0.37119 ] [ 0.419757 0.5 0.047025 ] [ 0.580243 0.5 0.952975 ] [ 0.270983 0 0.685593 ] [ 0.729017 0 0.314407 ] [ 0.524175 0 0.62881 ] [ 0.475825 0 0.37119 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.4974275087 "source-unit" "angstrom" } "b" { "source-value" 3.26544138166 "source-unit" "angstrom" } "c" { "source-value" 11.3110154516 "source-unit" "angstrom" } "beta" { "source-value" 134.909351935 "source-unit" "degree" } }