{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.45566 0.183981 ] [ 0.75 0.54434 0.816019 ] [ 0.75 0.95566 0.316019 ] [ 0.25 0.04434 0.683981 ] [ 0.25 0.388713 0.821396 ] [ 0.75 0.611287 0.178604 ] [ 0.75 0.888713 0.678604 ] [ 0.25 0.111287 0.321396 ] [ 0.25 0.564306 0.624744 ] [ 0.75 0.435694 0.375256 ] [ 0.75 0.064306 0.875256 ] [ 0.25 0.935694 0.124744 ] [ 0.25 0.735443 0.441661 ] [ 0.75 0.264557 0.558339 ] [ 0.75 0.235443 0.058339 ] [ 0.25 0.764557 0.941661 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "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" 6.84279097 "source-unit" "angstrom" } "b" { "source-value" 9.85441381 "source-unit" "angstrom" } "c" { "source-value" 10.25935216 "source-unit" "angstrom" } }