{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.187222 0.239238 ] [ 0 0.010636 0.5 ] [ 0 0.997106 0 ] [ 0.5 0.187222 0.760761 ] [ 0 0.687222 0.239238 ] [ 0.5 0.510636 0.5 ] [ 0.5 0.497106 0 ] [ 0 0.687222 0.760761 ] [ 0.5 0.863356 0.667679 ] [ 0.5 0.863356 0.332321 ] [ 0.5 0.806335 0 ] [ 0 0.363356 0.667679 ] [ 0 0.363356 0.332321 ] [ 0 0.306335 0 ] [ 0.5 0.087262 0 ] [ 0 0.089184 0.753197 ] [ 0 0.089184 0.246803 ] [ 0.5 0.116673 0.5 ] [ 0 0.587262 0 ] [ 0.5 0.589184 0.753197 ] [ 0.5 0.589184 0.246803 ] [ 0 0.616673 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Se" "Se" "Se" "Se" "Se" "Se" "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" 3.95099353 "source-unit" "angstrom" } "b" { "source-value" 12.6583411873 "source-unit" "angstrom" } "c" { "source-value" 8.60951765457 "source-unit" "angstrom" } }