{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.816125 0.448844 0.877924 ] [ 0.183875 0.948844 0.622076 ] [ 0.683875 0.551156 0.377924 ] [ 0.316125 0.051156 0.122076 ] [ 0.280909 0.826332 0.887841 ] [ 0.719091 0.326332 0.612159 ] [ 0.219091 0.173668 0.387841 ] [ 0.780909 0.673668 0.112159 ] [ 0.730049 0.958524 0.873885 ] [ 0.269951 0.458524 0.626115 ] [ 0.769951 0.041476 0.373885 ] [ 0.230049 0.541476 0.126115 ] [ 0.579989 0.070694 0.781783 ] [ 0.420011 0.570694 0.718217 ] [ 0.920011 0.929306 0.281783 ] [ 0.079989 0.429306 0.218217 ] [ 0.839637 0.081118 0.969303 ] [ 0.160363 0.581118 0.530697 ] [ 0.660363 0.918882 0.469303 ] [ 0.339637 0.418882 0.030697 ] [ 0.986061 0.825717 0.830869 ] [ 0.013939 0.325717 0.669131 ] [ 0.513939 0.174283 0.330869 ] [ 0.486061 0.674283 0.169131 ] [ 0.470558 0.816896 0.928104 ] [ 0.529442 0.316896 0.571896 ] [ 0.029442 0.183104 0.428104 ] [ 0.970558 0.683104 0.071896 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "H" "H" "H" "H" "Se" "Se" "Se" "Se" "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" 4.66158795 "source-unit" "angstrom" } "b" { "source-value" 7.69737073 "source-unit" "angstrom" } "c" { "source-value" 13.21307296 "source-unit" "angstrom" } }