{ "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" [ [ 0.231252 0.048466 0.659765 ] [ 0.768748 0.548466 0.840235 ] [ 0.768748 0.951534 0.340235 ] [ 0.231252 0.451534 0.159765 ] [ 0.757086 0.334956 0.534981 ] [ 0.242914 0.834956 0.965019 ] [ 0.242914 0.665044 0.465019 ] [ 0.757086 0.165044 0.034981 ] [ 0.252202 0.30181 0.273958 ] [ 0.747798 0.80181 0.226042 ] [ 0.747798 0.69819 0.726042 ] [ 0.252202 0.19819 0.773958 ] [ 0.199926 0.599298 0.029281 ] [ 0.800074 0.099298 0.470719 ] [ 0.800074 0.400702 0.970719 ] [ 0.199926 0.900702 0.529281 ] [ 0.692464 0.507478 0.325918 ] [ 0.307536 0.007478 0.174082 ] [ 0.307536 0.492522 0.674082 ] [ 0.692464 0.992522 0.825918 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "In" "In" "In" "In" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.29588543715 "source-unit" "angstrom" } "b" { "source-value" 15.15506058 "source-unit" "angstrom" } "c" { "source-value" 9.53244595941 "source-unit" "angstrom" } "beta" { "source-value" 96.1391147139 "source-unit" "degree" } }