{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.241364 0.25 ] [ 0.5 0.758636 0.75 ] [ 0 0.741364 0.25 ] [ 0 0.258636 0.75 ] [ 0.5 0.84311 0.431926 ] [ 0.5 0.15689 0.568074 ] [ 0 0.901893 0.75 ] [ 0 0.098107 0.25 ] [ 0.5 0.84311 0.068074 ] [ 0.5 0.15689 0.931926 ] [ 0 0.34311 0.431926 ] [ 0 0.65689 0.568074 ] [ 0.5 0.401893 0.75 ] [ 0.5 0.598107 0.25 ] [ 0 0.34311 0.068074 ] [ 0 0.65689 0.931926 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "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" 4.05208184 "source-unit" "angstrom" } "b" { "source-value" 14.31396874 "source-unit" "angstrom" } "c" { "source-value" 9.24235639 "source-unit" "angstrom" } }