{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.886857 0.897074 0.132334 ] [ 0.122702 0.369135 0.371592 ] [ 0.377298 0.869135 0.628408 ] [ 0.613143 0.397074 0.867666 ] [ 0.386857 0.397074 0.132334 ] [ 0.622702 0.869135 0.371592 ] [ 0.877298 0.369135 0.628408 ] [ 0.113143 0.897074 0.867666 ] [ 0.03062 0.07898 0.242424 ] [ 0.46938 0.57898 0.757576 ] [ 0.53062 0.57898 0.242424 ] [ 0.96938 0.07898 0.757576 ] [ 0.203048 0.671116 0.500941 ] [ 0 0.782005 0 ] [ 0.755283 0.465726 0.755863 ] [ 0.950689 0.581523 0.248121 ] [ 0.296952 0.171116 0.499059 ] [ 0.786505 0.170649 0.99434 ] [ 0 0.278077 0.5 ] [ 0.713495 0.670649 0.00566 ] [ 0.744717 0.965726 0.244137 ] [ 0.549311 0.081523 0.751879 ] [ 0.703048 0.171116 0.500941 ] [ 0.5 0.282005 0 ] [ 0.255283 0.965726 0.755863 ] [ 0.450689 0.081523 0.248121 ] [ 0.796952 0.671116 0.499059 ] [ 0.286505 0.670649 0.99434 ] [ 0.5 0.778077 0.5 ] [ 0.213495 0.170649 0.00566 ] [ 0.244717 0.465726 0.244137 ] [ 0.049311 0.581523 0.751879 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.1543083 "source-unit" "angstrom" } "b" { "source-value" 5.26783377 "source-unit" "angstrom" } "c" { "source-value" 9.5494324 "source-unit" "angstrom" } "beta" { "source-value" 109.2461674 "source-unit" "degree" } }