{ "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" [ [ 0.247503 0.541229 0.461348 ] [ 0.747503 0.958771 0.538652 ] [ 0.752497 0.041229 0.038652 ] [ 0.252497 0.458771 0.961348 ] [ 0.518366 0.386789 0.376869 ] [ 0.018366 0.113211 0.623131 ] [ 0.481634 0.886789 0.123131 ] [ 0.981634 0.613211 0.876869 ] [ 0.962222 0.474522 0.116837 ] [ 0.462222 0.025478 0.883163 ] [ 0.037778 0.974522 0.383163 ] [ 0.537778 0.525478 0.616837 ] [ 0.941005 0.307138 0.884415 ] [ 0.441005 0.192862 0.115585 ] [ 0.058995 0.807138 0.615585 ] [ 0.558995 0.692862 0.384415 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "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" 4.46307333 "source-unit" "angstrom" } "b" { "source-value" 12.33696491 "source-unit" "angstrom" } "c" { "source-value" 14.09944092 "source-unit" "angstrom" } }