{ "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" [ [ 0.990647 0.25 0.612127 ] [ 0.009353 0.75 0.387873 ] [ 0.923985 0.25 0.067293 ] [ 0.076015 0.75 0.932707 ] [ 0.468774 0.25 0.816756 ] [ 0.531226 0.75 0.183244 ] [ 0.37009 0.25 0.390767 ] [ 0.62991 0.75 0.609233 ] [ 0.73154 0.25 0.311877 ] [ 0.26846 0.75 0.688123 ] [ 0.312747 0.25 0.079949 ] [ 0.687253 0.75 0.920051 ] [ 0.989896 0.25 0.343286 ] [ 0.010104 0.75 0.656714 ] [ 0.163818 0.25 0.886623 ] [ 0.836182 0.75 0.113377 ] [ 0.582444 0.25 0.11097 ] [ 0.417556 0.75 0.88903 ] [ 0.315027 0.500158 0.588266 ] [ 0.684973 0.000158 0.411734 ] [ 0.684973 0.499842 0.411734 ] [ 0.315027 0.999842 0.588266 ] [ 0.758506 0.497333 0.83458 ] [ 0.241494 0.997333 0.16542 ] [ 0.758506 0.002667 0.83458 ] [ 0.241494 0.502667 0.16542 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ga" "Ga" "Ga" "Ga" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.14572332168 "source-unit" "angstrom" } "b" { "source-value" 7.22175185 "source-unit" "angstrom" } "c" { "source-value" 11.9707898091 "source-unit" "angstrom" } "beta" { "source-value" 108.996535439 "source-unit" "degree" } }