{ "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" [ [ 0.44389 0.662345 0.815698 ] [ 0.05611 0.162345 0.184302 ] [ 0.55611 0.337655 0.184302 ] [ 0.94389 0.837655 0.815698 ] [ 0.134557 0.866691 0.49954 ] [ 0.365443 0.366691 0.50046 ] [ 0.865443 0.133309 0.50046 ] [ 0.634557 0.633309 0.49954 ] [ 0.87059 0.544332 0.088686 ] [ 0.62941 0.044332 0.911314 ] [ 0.37059 0.955668 0.088686 ] [ 0.12941 0.455668 0.911314 ] [ 0.254388 0.663975 0.243618 ] [ 0.245612 0.163975 0.756382 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.745612 0.336025 0.756382 ] [ 0.754388 0.836025 0.243618 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.75451155 "source-unit" "angstrom" } "b" { "source-value" 6.86480986 "source-unit" "angstrom" } "c" { "source-value" 6.85811068 "source-unit" "angstrom" } "beta" { "source-value" 109.99597901 "source-unit" "degree" } }