{ "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 0.751103 0.75 ] [ 0.5 0.248897 0.25 ] [ 0 0.251103 0.75 ] [ 0 0.748897 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.97204 0.25 ] [ 0.5 0.02796 0.75 ] [ 0 0.47204 0.25 ] [ 0 0.52796 0.75 ] [ 0 0.924669 0.75 ] [ 0 0.075331 0.25 ] [ 0.5 0.865239 0.064419 ] [ 0.5 0.865239 0.435581 ] [ 0.5 0.134761 0.564419 ] [ 0.5 0.134761 0.935581 ] [ 0.5 0.424669 0.75 ] [ 0.5 0.575331 0.25 ] [ 0 0.365239 0.064419 ] [ 0 0.365239 0.435581 ] [ 0 0.634761 0.564419 ] [ 0 0.634761 0.935581 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Lu" "Lu" "Lu" "Lu" "Cu" "Cu" "Cu" "Cu" "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" 3.89972394 "source-unit" "angstrom" } "b" { "source-value" 13.02409328 "source-unit" "angstrom" } "c" { "source-value" 10.03607176 "source-unit" "angstrom" } }