{ "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" [ [ 0.223244 0.441689 0.152728 ] [ 0.776756 0.941689 0.347272 ] [ 0.776756 0.558311 0.847272 ] [ 0.223244 0.058311 0.652728 ] [ 0.767992 0.292723 0.448004 ] [ 0.232008 0.792723 0.051996 ] [ 0.232008 0.707277 0.551996 ] [ 0.767992 0.207277 0.948004 ] [ 0.310847 0.13238 0.181464 ] [ 0.689153 0.63238 0.318536 ] [ 0.689153 0.86762 0.818536 ] [ 0.310847 0.36762 0.681464 ] [ 0.107026 0.605866 0.009403 ] [ 0.892974 0.105866 0.490597 ] [ 0.892974 0.394134 0.990597 ] [ 0.107026 0.894134 0.509403 ] [ 0.132939 0.516137 0.677268 ] [ 0.867061 0.016137 0.822732 ] [ 0.867061 0.483863 0.322732 ] [ 0.132939 0.983863 0.177268 ] [ 0.385428 0.554691 0.370834 ] [ 0.614572 0.054691 0.129166 ] [ 0.614572 0.445309 0.629166 ] [ 0.385428 0.945309 0.870834 ] [ 0.583971 0.601393 0.102315 ] [ 0.416029 0.101393 0.397685 ] [ 0.416029 0.398607 0.897685 ] [ 0.583971 0.898607 0.602315 ] [ 0.765203 0.836439 0.037934 ] [ 0.234797 0.336439 0.462066 ] [ 0.234797 0.163561 0.962066 ] [ 0.765203 0.663561 0.537934 ] [ 0.50977 0.276547 0.189127 ] [ 0.49023 0.776547 0.310873 ] [ 0.49023 0.723453 0.810873 ] [ 0.50977 0.223453 0.689127 ] [ 0.011243 0.27371 0.715047 ] [ 0.988757 0.77371 0.784953 ] [ 0.988757 0.72629 0.284953 ] [ 0.011243 0.22629 0.215047 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Rh" "Rh" "Rh" "Rh" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.61923049426 "source-unit" "angstrom" } "b" { "source-value" 11.82805456 "source-unit" "angstrom" } "c" { "source-value" 8.80584967831 "source-unit" "angstrom" } "beta" { "source-value" 90.902170149 "source-unit" "degree" } }