{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.991361 0.652263 0.143868 ] [ 0.008639 0.152263 0.856132 ] [ 0.621187 0.06649 0.351956 ] [ 0.378813 0.56649 0.648044 ] [ 0.432446 0.668738 0.819939 ] [ 0.567554 0.168738 0.180061 ] [ 0.374241 0.009082 0.108023 ] [ 0.478128 0.403514 0.185702 ] [ 0.521872 0.903514 0.814298 ] [ 0.625759 0.509082 0.891977 ] [ 0.825977 0.148147 0.153044 ] [ 0.174023 0.648147 0.846956 ] [ 0.789332 0.203539 0.434586 ] [ 0.606024 0.559824 0.609565 ] [ 0.210668 0.703539 0.565414 ] [ 0.393976 0.059824 0.390435 ] [ 0.722673 0.851003 0.362985 ] [ 0.277327 0.351003 0.637015 ] ] } "species" { "source-value" [ "Rb" "Rb" "C" "C" "S" "S" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.28575807 "source-unit" "angstrom" } "b" { "source-value" 5.8602404 "source-unit" "angstrom" } "c" { "source-value" 10.58239213 "source-unit" "angstrom" } "beta" { "source-value" 103.59067241 "source-unit" "degree" } }