{ "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" [ [ 0.659309 0.008464 0.811563 ] [ 0.340691 0.008464 0.188437 ] [ 0 0.962286 0.5 ] [ 0 0.990582 0 ] [ 0.159309 0.508464 0.811563 ] [ 0.840691 0.508464 0.188437 ] [ 0.5 0.462286 0.5 ] [ 0.5 0.490582 0 ] [ 0.340389 0.975346 0.695824 ] [ 0.659611 0.975346 0.304176 ] [ 0.840389 0.475346 0.695824 ] [ 0.159611 0.475346 0.304176 ] [ 0.917574 0.679046 0.800739 ] [ 0.082426 0.679046 0.199261 ] [ 0.197913 0.911951 0.794237 ] [ 0.802087 0.911951 0.205763 ] [ 0.943789 0.263668 0.706917 ] [ 0.056211 0.263668 0.293083 ] [ 0.690236 0.04979 0.50962 ] [ 0.309764 0.04979 0.49038 ] [ 0.417574 0.179046 0.800739 ] [ 0.582426 0.179046 0.199261 ] [ 0.697913 0.411951 0.794237 ] [ 0.302087 0.411951 0.205763 ] [ 0.443789 0.763668 0.706917 ] [ 0.556211 0.763668 0.293083 ] [ 0.190236 0.54979 0.50962 ] [ 0.809764 0.54979 0.49038 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Mo" "Mo" "Mo" "Mo" "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" 10.843167707 "source-unit" "angstrom" } "b" { "source-value" 6.65967901786 "source-unit" "angstrom" } "c" { "source-value" 8.26605707512 "source-unit" "angstrom" } "beta" { "source-value" 90.9136603379 "source-unit" "degree" } }