{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.879499 ] [ 0.25 0.75 0.75 ] [ 0 0.75 0.120501 ] [ 0.75 0.75 0.75 ] [ 0.5 0.75 0.379499 ] [ 0.75 0.25 0.25 ] [ 0.5 0.25 0.620501 ] [ 0.25 0.25 0.25 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.267369 0.75 0.981843 ] [ 0.5 0.971071 0.754653 ] [ 0 0.528929 0.745347 ] [ 0 0.971071 0.745347 ] [ 0.267369 0.25 0.018157 ] [ 0.732631 0.25 0.018157 ] [ 0.732631 0.75 0.981843 ] [ 0.5 0.528929 0.754653 ] [ 0.767369 0.25 0.481843 ] [ 0 0.471071 0.254653 ] [ 0.5 0.028929 0.245347 ] [ 0.5 0.471071 0.245347 ] [ 0.767369 0.75 0.518157 ] [ 0.232631 0.75 0.518157 ] [ 0.232631 0.25 0.481843 ] [ 0 0.028929 0.254653 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" 5.80174886 "source-unit" "angstrom" } "b" { "source-value" 5.82462996 "source-unit" "angstrom" } "c" { "source-value" 8.26546838 "source-unit" "angstrom" } }