{ "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" [ [ 0.093457 0.740176 0.512175 ] [ 0.093457 0.759824 0.012175 ] [ 0.906543 0.240176 0.987825 ] [ 0.906543 0.259824 0.487825 ] [ 0.290722 0.224141 0.880863 ] [ 0.290722 0.275859 0.380863 ] [ 0.709278 0.724141 0.619137 ] [ 0.709278 0.775859 0.119137 ] [ 0.025636 0.545472 0.655938 ] [ 0.168276 0.074254 0.610875 ] [ 0.025636 0.954528 0.155938 ] [ 0.346534 0.645862 0.528602 ] [ 0.168276 0.425746 0.110875 ] [ 0.653466 0.145862 0.971398 ] [ 0.346534 0.854138 0.028602 ] [ 0.831724 0.574254 0.889125 ] [ 0.653466 0.354138 0.471398 ] [ 0.974364 0.045472 0.844062 ] [ 0.831724 0.925746 0.389125 ] [ 0.974364 0.454528 0.344062 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Bi" "Bi" "Bi" "Bi" "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" 7.20713713 "source-unit" "angstrom" } "b" { "source-value" 5.0945045 "source-unit" "angstrom" } "c" { "source-value" 8.68303627 "source-unit" "angstrom" } "beta" { "source-value" 116.99218466 "source-unit" "degree" } }