{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.024681 0.916293 0.75 ] [ 0.475319 0.416293 0.75 ] [ 0.524681 0.583707 0.25 ] [ 0.975319 0.083707 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.135887 0.453042 0.25 ] [ 0.181975 0.181096 0.56812 ] [ 0.181975 0.181096 0.93188 ] [ 0.318025 0.681096 0.56812 ] [ 0.318025 0.681096 0.93188 ] [ 0.364113 0.953042 0.25 ] [ 0.635887 0.046958 0.75 ] [ 0.681975 0.318904 0.06812 ] [ 0.681975 0.318904 0.43188 ] [ 0.818025 0.818904 0.06812 ] [ 0.818025 0.818904 0.43188 ] [ 0.864113 0.546958 0.75 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Fe" "Fe" "Fe" "Fe" "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" 5.4670343 "source-unit" "angstrom" } "b" { "source-value" 5.78395001 "source-unit" "angstrom" } "c" { "source-value" 7.77724953 "source-unit" "angstrom" } }