{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.247639 0 ] [ 0 0.752361 0 ] [ 0 0.5 0 ] [ 0.5 0.747639 0 ] [ 0.5 0.252361 0 ] [ 0.254943 0.129269 0 ] [ 0.745057 0.870731 0 ] [ 0.254943 0.870731 0 ] [ 0.745057 0.129269 0 ] [ 0.754943 0.629269 0 ] [ 0.245057 0.370731 0 ] [ 0.754943 0.370731 0 ] [ 0.245057 0.629269 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.55196257221 "source-unit" "angstrom" } "b" { "source-value" 11.1034125527 "source-unit" "angstrom" } "c" { "source-value" 4.03736871 "source-unit" "angstrom" } }