{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.968297 0.279786 0.141968 ] [ 0.968297 0.720214 0.641968 ] [ 0.468297 0.779786 0.141968 ] [ 0.468297 0.220214 0.641968 ] [ 0.718046 0.679326 0.414108 ] [ 0.50645 0.043019 0.399531 ] [ 0.218046 0.820674 0.914108 ] [ 0.00645 0.456981 0.899531 ] [ 0.218046 0.179326 0.414108 ] [ 0.00645 0.543019 0.399531 ] [ 0.718046 0.320674 0.914108 ] [ 0.50645 0.956981 0.899531 ] [ 0.428423 0.539171 0.408041 ] [ 0.428423 0.460829 0.908041 ] [ 0.928423 0.039171 0.408041 ] [ 0.928423 0.960829 0.908041 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.3175449 "source-unit" "angstrom" } "b" { "source-value" 5.55482216 "source-unit" "angstrom" } "c" { "source-value" 5.66847873 "source-unit" "angstrom" } "beta" { "source-value" 125.16719448 "source-unit" "degree" } }