{ "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 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.09864 0.25 ] [ 0.5 0.90136 0.75 ] [ 0 0.59864 0.25 ] [ 0 0.40136 0.75 ] [ 0.5 0.892188 0.619322 ] [ 0.5 0.107812 0.380678 ] [ 0.5 0.107812 0.119322 ] [ 0.5 0.892188 0.880678 ] [ 0 0.392188 0.619322 ] [ 0 0.607812 0.380678 ] [ 0 0.607812 0.119322 ] [ 0 0.392188 0.880678 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.98126219 "source-unit" "angstrom" } "b" { "source-value" 6.6403087 "source-unit" "angstrom" } "c" { "source-value" 9.44764203 "source-unit" "angstrom" } }