{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.750755 ] [ 0 0.75 0.249245 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.75 0.772202 ] [ 0.5 0 0.5 ] [ 0 0.25 0.227798 ] [ 0.5 0.25 0.618595 ] [ 0 0.45885 0.371616 ] [ 0.5 0.75 0.133885 ] [ 0 0.515582 0.118819 ] [ 0 0.484418 0.881181 ] [ 0 0.015582 0.881181 ] [ 0.5 0.25 0.866115 ] [ 0.5 0.75 0.884344 ] [ 0 0.54115 0.628384 ] [ 0 0.95885 0.628384 ] [ 0 0.04115 0.371616 ] [ 0.5 0.75 0.381405 ] [ 0.5 0.25 0.115656 ] [ 0 0.984418 0.118819 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Nd" "Nd" "Nd" "Nd" "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" 3.80789909 "source-unit" "angstrom" } "b" { "source-value" 7.96551263 "source-unit" "angstrom" } "c" { "source-value" 11.2277214 "source-unit" "angstrom" } }