{ "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 0 0 ] [ 0.5 0.5 0 ] [ 0.676306 0.5 0.71202 ] [ 0.103231 0.5 0.362582 ] [ 0.896769 0.5 0.637418 ] [ 0.323694 0.5 0.28798 ] [ 0.176306 0 0.71202 ] [ 0.603231 0 0.362582 ] [ 0.396769 0 0.637418 ] [ 0.823694 0 0.28798 ] [ 0.917456 0.5 0.309723 ] [ 0.864123 0.5 0.918859 ] [ 0.135877 0.5 0.081141 ] [ 0.948442 0 0.781743 ] [ 0.082544 0.5 0.690277 ] [ 0.313734 0.5 0.459252 ] [ 0.686266 0.5 0.540748 ] [ 0.051558 0 0.218257 ] [ 0.417456 0 0.309723 ] [ 0.364123 0 0.918859 ] [ 0.635877 0 0.081141 ] [ 0.448442 0.5 0.781743 ] [ 0.582544 0 0.690277 ] [ 0.813734 0 0.459252 ] [ 0.186266 0 0.540748 ] [ 0.551558 0.5 0.218257 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "O" "O" "O" "O" "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" 12.4406130882 "source-unit" "angstrom" } "b" { "source-value" 3.05681931666 "source-unit" "angstrom" } "c" { "source-value" 10.5803671131 "source-unit" "angstrom" } "beta" { "source-value" 131.495292876 "source-unit" "degree" } }