{ "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 0.09971 0.5 ] [ 0.5 0.59971 0.5 ] [ 0.09783 0.105421 0.198512 ] [ 0.303805 0.610109 0.101224 ] [ 0.90217 0.105421 0.801488 ] [ 0.196195 0.110109 0.898776 ] [ 0.298441 0.102783 0.600273 ] [ 0.201559 0.602783 0.399727 ] [ 0.59783 0.605421 0.198512 ] [ 0.803805 0.110109 0.101224 ] [ 0.40217 0.605421 0.801488 ] [ 0.696195 0.610109 0.898776 ] [ 0.798441 0.602783 0.600273 ] [ 0.701559 0.102783 0.399727 ] [ 0.144899 0.837765 0.04575 ] [ 0.949236 0.35583 0.156072 ] [ 0.050764 0.35583 0.843928 ] [ 0.855101 0.837765 0.95425 ] [ 0.956405 0.818205 0.663242 ] [ 0.241134 0.835521 0.748801 ] [ 0.346765 0.88451 0.435118 ] [ 0.153235 0.38451 0.564882 ] [ 0.258866 0.335521 0.251199 ] [ 0.043595 0.818205 0.336758 ] [ 0.644899 0.337765 0.04575 ] [ 0.449236 0.85583 0.156072 ] [ 0.550764 0.85583 0.843928 ] [ 0.355101 0.337765 0.95425 ] [ 0.456405 0.318205 0.663242 ] [ 0.741134 0.335521 0.748801 ] [ 0.846765 0.38451 0.435118 ] [ 0.653235 0.88451 0.564882 ] [ 0.758866 0.835521 0.251199 ] [ 0.543595 0.318205 0.336758 ] ] } "species" { "source-value" [ "Cd" "Cd" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.7469251411 "source-unit" "angstrom" } "b" { "source-value" 6.1704446162 "source-unit" "angstrom" } "c" { "source-value" 13.3828233816 "source-unit" "angstrom" } "beta" { "source-value" 91.1590343613 "source-unit" "degree" } }