{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.209162 0.75 0.257183 ] [ 0.790838 0.25 0.742817 ] [ 0.703688 0.25 0.247517 ] [ 0.296312 0.75 0.752483 ] [ 0.17866 0.25 0.381204 ] [ 0.82134 0.75 0.618796 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.994676 0.25 0.417055 ] [ 0.005324 0.75 0.582945 ] [ 0.462335 0.25 0.333819 ] [ 0.537665 0.75 0.666181 ] [ 0.709314 0.044768 0.129742 ] [ 0.290686 0.544768 0.870258 ] [ 0.290686 0.955232 0.870258 ] [ 0.709314 0.455232 0.129742 ] ] } "species" { "source-value" [ "Rb" "Rb" "P" "P" "H" "H" "H" "H" "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" 4.90169162717 "source-unit" "angstrom" } "b" { "source-value" 6.21691324 "source-unit" "angstrom" } "c" { "source-value" 7.54626893306 "source-unit" "angstrom" } "beta" { "source-value" 108.140934246 "source-unit" "degree" } }