{ "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" [ [ 0.320117 0.882211 0.664942 ] [ 0.679883 0.117789 0.335058 ] [ 0.679883 0.382211 0.835058 ] [ 0.320117 0.617789 0.164942 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.746345 0.729961 0.474632 ] [ 0.253655 0.270039 0.525368 ] [ 0.835972 0.442092 0.218615 ] [ 0.746345 0.770039 0.974632 ] [ 0.835972 0.057908 0.718615 ] [ 0.164028 0.557908 0.781385 ] [ 0.253655 0.229961 0.025368 ] [ 0.164028 0.942092 0.281385 ] [ 0.200732 0.601578 0.460339 ] [ 0.799268 0.398422 0.539661 ] [ 0.200732 0.898422 0.960339 ] [ 0.799268 0.101578 0.039661 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "U" "U" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 6.68767573853 "source-unit" "angstrom" } "b" { "source-value" 10.02538872 "source-unit" "angstrom" } "c" { "source-value" 10.1605827604 "source-unit" "angstrom" } "beta" { "source-value" 105.118274264 "source-unit" "degree" } }