{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.500298 0 0.017416 ] [ 0.751726 0.246897 0.733792 ] [ 0.248213 0.754817 0.220403 ] [ 0.995873 0 0.464486 ] [ 0.248213 0.245183 0.220403 ] [ 0.751726 0.753103 0.733792 ] [ 0.000298 0.5 0.017416 ] [ 0.251726 0.746897 0.733792 ] [ 0.748213 0.254817 0.220403 ] [ 0.495873 0.5 0.464486 ] [ 0.748213 0.745183 0.220403 ] [ 0.251726 0.253103 0.733792 ] [ 0.511095 0 0.490785 ] [ 0.970161 0 0.013957 ] [ 0.011095 0.5 0.490785 ] [ 0.470161 0.5 0.013957 ] [ 0.79716 0 0.940357 ] [ 0.995527 0.16787 0.127136 ] [ 0.67595 0 0.397733 ] [ 0.999755 0.328743 0.608046 ] [ 0.999755 0.671257 0.608046 ] [ 0.370012 0 0.347569 ] [ 0.995527 0.83213 0.127136 ] [ 0.231894 0 0.92566 ] [ 0.092615 0 0.840781 ] [ 0.29716 0.5 0.940357 ] [ 0.495527 0.66787 0.127136 ] [ 0.17595 0.5 0.397733 ] [ 0.499755 0.828743 0.608046 ] [ 0.499755 0.171257 0.608046 ] [ 0.870012 0.5 0.347569 ] [ 0.495527 0.33213 0.127136 ] [ 0.731894 0.5 0.92566 ] [ 0.592615 0.5 0.840781 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Cr" "Cr" "Cr" "Cr" "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" 9.54761031 "source-unit" "angstrom" } "b" { "source-value" 8.56813719 "source-unit" "angstrom" } "c" { "source-value" 7.86959705 "source-unit" "angstrom" } "beta" { "source-value" 91.18772213 "source-unit" "degree" } }