{ "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" [ [ 0.406423 0.122965 0.345865 ] [ 0.406423 0.377035 0.845865 ] [ 0.593577 0.622965 0.154135 ] [ 0.593577 0.877035 0.654135 ] [ 0.972524 0.107283 0.079063 ] [ 0.027476 0.607283 0.420937 ] [ 0.027476 0.892717 0.920937 ] [ 0.972524 0.392717 0.579063 ] [ 0.201191 0.085314 0.992717 ] [ 0.798809 0.585314 0.507283 ] [ 0.201191 0.414686 0.492717 ] [ 0.798809 0.914686 0.007283 ] [ 0.193242 0.686236 0.981229 ] [ 0.844168 0.706833 0.853531 ] [ 0.155832 0.293167 0.146469 ] [ 0.13224 0.576814 0.657849 ] [ 0.86776 0.076814 0.842151 ] [ 0.736771 0.114755 0.160203 ] [ 0.736771 0.385245 0.660203 ] [ 0.155832 0.206833 0.646469 ] [ 0.806758 0.186236 0.518771 ] [ 0.806758 0.313764 0.018771 ] [ 0.263229 0.885245 0.839797 ] [ 0.86776 0.423186 0.342151 ] [ 0.13224 0.923186 0.157849 ] [ 0.193242 0.813764 0.481229 ] [ 0.263229 0.614755 0.339797 ] [ 0.844168 0.793167 0.353531 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "As" "As" "As" "As" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.32989755902 "source-unit" "angstrom" } "b" { "source-value" 6.67879236 "source-unit" "angstrom" } "c" { "source-value" 14.3070426572 "source-unit" "angstrom" } "beta" { "source-value" 95.9808674137 "source-unit" "degree" } }