{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.928048 0.637953 0.853804 ] [ 0.928048 0.362047 0.353804 ] [ 0.071952 0.637953 0.646196 ] [ 0.071952 0.362047 0.146196 ] [ 0.837972 0.908755 0.698715 ] [ 0.162028 0.908755 0.801285 ] [ 0.837972 0.091245 0.198715 ] [ 0.162028 0.091245 0.301285 ] [ 0.348858 0.776055 0.572172 ] [ 0.348858 0.223945 0.072172 ] [ 0.764148 0.550877 0.198116 ] [ 0.852295 0.330298 0.959094 ] [ 0.764148 0.449123 0.698116 ] [ 0.651142 0.223945 0.427828 ] [ 0.147705 0.330298 0.540906 ] [ 0.235852 0.550877 0.301884 ] [ 0.147705 0.669702 0.040906 ] [ 0.235852 0.449123 0.801884 ] [ 0.651142 0.776055 0.927828 ] [ 0.852295 0.669702 0.459094 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Se" "Se" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.64875944864 "source-unit" "angstrom" } "b" { "source-value" 7.09725326 "source-unit" "angstrom" } "c" { "source-value" 12.1380779894 "source-unit" "angstrom" } "beta" { "source-value" 98.3376906697 "source-unit" "degree" } }