{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.629384 0 0.345912 ] [ 0.370616 0 0.654088 ] [ 0 0.200276 0.5 ] [ 0 0.799724 0.5 ] [ 0 0.265208 0 ] [ 0 0.734792 0 ] [ 0.129384 0.5 0.345912 ] [ 0.870616 0.5 0.654088 ] [ 0.5 0.700276 0.5 ] [ 0.5 0.299724 0.5 ] [ 0.5 0.765208 0 ] [ 0.5 0.234792 0 ] [ 0.155569 0 0.146497 ] [ 0.844431 0 0.853503 ] [ 0.655569 0.5 0.146497 ] [ 0.344431 0.5 0.853503 ] [ 0.272487 0.125616 0.261685 ] [ 0.727513 0.125616 0.738315 ] [ 0.727513 0.874384 0.738315 ] [ 0.272487 0.874384 0.261685 ] [ 0.100092 0 0.868998 ] [ 0.899908 0 0.131002 ] [ 0.772487 0.625616 0.261685 ] [ 0.227513 0.625616 0.738315 ] [ 0.227513 0.374384 0.738315 ] [ 0.772487 0.374384 0.261685 ] [ 0.600092 0.5 0.868998 ] [ 0.399908 0.5 0.131002 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Al" "Al" "Al" "Al" "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" 7.33725006447 "source-unit" "angstrom" } "b" { "source-value" 11.6542637674 "source-unit" "angstrom" } "c" { "source-value" 6.8964863429 "source-unit" "angstrom" } "beta" { "source-value" 104.264421578 "source-unit" "degree" } }