{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccme" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.138989 0.014654 ] [ 0.5 0.861011 0.985346 ] [ 0 0.138989 0.485346 ] [ 0 0.861011 0.514654 ] [ 0 0.638989 0.014654 ] [ 0 0.361011 0.985346 ] [ 0.5 0.638989 0.485346 ] [ 0.5 0.361011 0.514654 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.25 0.988766 0.25 ] [ 0 0.18678 0.059789 ] [ 0.5 0.81322 0.559789 ] [ 0.25 0.011234 0.75 ] [ 0.75 0.988766 0.25 ] [ 0.5 0.18678 0.440211 ] [ 0 0.81322 0.940211 ] [ 0.75 0.011234 0.75 ] [ 0.75 0.488766 0.25 ] [ 0.5 0.68678 0.059789 ] [ 0 0.31322 0.559789 ] [ 0.75 0.511234 0.75 ] [ 0.25 0.488766 0.25 ] [ 0 0.68678 0.440211 ] [ 0.5 0.31322 0.940211 ] [ 0.25 0.511234 0.75 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.35630431374 "source-unit" "angstrom" } "b" { "source-value" 13.1039470695 "source-unit" "angstrom" } "c" { "source-value" 5.54339192 "source-unit" "angstrom" } }