{ "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" [ [ 0.165709 0.197109 0.847591 ] [ 0.834291 0.697109 0.652409 ] [ 0.834291 0.802891 0.152409 ] [ 0.165709 0.302891 0.347591 ] [ 0.7115 0.422351 0.895158 ] [ 0.2885 0.922351 0.604842 ] [ 0.2885 0.577649 0.104842 ] [ 0.7115 0.077649 0.395158 ] [ 0.475048 0.32007 0.88239 ] [ 0.524952 0.82007 0.61761 ] [ 0.524952 0.67993 0.11761 ] [ 0.475048 0.17993 0.38239 ] [ 0.873068 0.193684 0.891138 ] [ 0.126932 0.693684 0.608862 ] [ 0.126932 0.806316 0.108862 ] [ 0.873068 0.306316 0.391138 ] [ 0.068784 0.043959 0.274714 ] [ 0.931216 0.543959 0.225286 ] [ 0.931216 0.956041 0.725286 ] [ 0.068784 0.456041 0.774714 ] [ 0.246724 0.564924 0.413902 ] [ 0.753276 0.064924 0.086098 ] [ 0.753276 0.435076 0.586098 ] [ 0.246724 0.935076 0.913902 ] [ 0.711703 0.598166 0.789757 ] [ 0.209086 0.40755 0.993187 ] [ 0.209086 0.09245 0.493187 ] [ 0.790914 0.59245 0.006813 ] [ 0.711703 0.901834 0.289757 ] [ 0.288297 0.401834 0.210243 ] [ 0.288297 0.098166 0.710243 ] [ 0.790914 0.90755 0.506813 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Mo" "Mo" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.32943664636 "source-unit" "angstrom" } "b" { "source-value" 5.83731569 "source-unit" "angstrom" } "c" { "source-value" 13.8490088526 "source-unit" "angstrom" } "beta" { "source-value" 105.028236578 "source-unit" "degree" } }