{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.253913 0.351553 0.491261 ] [ 0.746087 0.851553 0.008739 ] [ 0.746087 0.648447 0.508739 ] [ 0.253913 0.148447 0.991261 ] [ 0.031926 0.713956 0.857715 ] [ 0.968074 0.213956 0.642285 ] [ 0.968074 0.286044 0.142285 ] [ 0.031926 0.786044 0.357715 ] [ 0.403486 0.55229 0.802385 ] [ 0.596514 0.05229 0.697615 ] [ 0.596514 0.44771 0.197615 ] [ 0.403486 0.94771 0.302385 ] [ 0.235067 0.873014 0.626203 ] [ 0.764933 0.373014 0.873797 ] [ 0.764933 0.126986 0.373797 ] [ 0.235067 0.626986 0.126203 ] [ 0.279431 0.056565 0.727079 ] [ 0.720569 0.556565 0.772921 ] [ 0.720569 0.943435 0.272921 ] [ 0.279431 0.443435 0.227079 ] [ 0.095545 0.713459 0.618533 ] [ 0.904455 0.213459 0.881467 ] [ 0.904455 0.286541 0.381467 ] [ 0.095545 0.786541 0.118533 ] [ 0.333816 0.654629 0.03503 ] [ 0.666184 0.154629 0.46497 ] [ 0.666184 0.345371 0.96497 ] [ 0.333816 0.845371 0.53503 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "B" "B" "B" "B" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.8646549172 "source-unit" "angstrom" } "b" { "source-value" 6.74323857 "source-unit" "angstrom" } "c" { "source-value" 13.8428879945 "source-unit" "angstrom" } "beta" { "source-value" 102.865036214 "source-unit" "degree" } }