{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.794238 0.897537 0.469377 ] [ 0.532304 0.875863 0.920661 ] [ 0.467696 0.375863 0.079339 ] [ 0.94694 0.621805 0.79725 ] [ 0.05306 0.121805 0.20275 ] [ 0.205762 0.397537 0.530623 ] [ 0.113054 0.823678 0.182541 ] [ 0.711638 0.211282 0.435625 ] [ 0.886946 0.323678 0.817459 ] [ 0.288362 0.711282 0.564375 ] [ 0.655127 0.494758 0.44283 ] [ 0.0427 0.491141 0.167602 ] [ 0.512098 0.117914 0.991911 ] [ 0.344873 0.994757 0.55717 ] [ 0.487902 0.617914 0.008089 ] [ 0.9573 0.991141 0.832398 ] [ 0.773117 0.084903 0.402406 ] [ 0.080164 0.427071 0.803432 ] [ 0.598247 0.747856 0.621468 ] [ 0.589855 0.360582 0.808438 ] [ 0.059822 0.262049 0.999158 ] [ 0.847982 0.280057 0.306594 ] [ 0.152018 0.780057 0.693406 ] [ 0.883445 0.251524 0.638867 ] [ 0.401753 0.247856 0.378532 ] [ 0.116555 0.751524 0.361133 ] [ 0.919836 0.927071 0.196568 ] [ 0.410145 0.860582 0.191562 ] [ 0.940178 0.762049 0.000842 ] [ 0.226883 0.584903 0.597594 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Si" "Si" "Si" "Si" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 5.36168836832 "source-unit" "angstrom" } "b" { "source-value" 12.21945354 "source-unit" "angstrom" } "c" { "source-value" 7.91486301895 "source-unit" "angstrom" } "beta" { "source-value" 108.783526826 "source-unit" "degree" } }