{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbma" } "basis-atom-coordinates" { "source-value" [ [ 0.227841 0.25 0.302041 ] [ 0.772159 0.75 0.697959 ] [ 0.75 0.5 0.299491 ] [ 0.25 0.5 0.700509 ] [ 0.727841 0.25 0.697959 ] [ 0.272159 0.75 0.302041 ] [ 0.75 0 0.299491 ] [ 0.25 0 0.700509 ] [ 0.536883 0.864203 0.899636 ] [ 0.463117 0.364203 0.100364 ] [ 0.536883 0.635797 0.899636 ] [ 0.463117 0.135797 0.100364 ] [ 0.963117 0.135797 0.899636 ] [ 0.036883 0.864203 0.100364 ] [ 0.036883 0.635797 0.100364 ] [ 0.963117 0.364203 0.899636 ] [ 0.38411 0.75 0.055297 ] [ 0.267162 0.75 0.780244 ] [ 0.11589 0.25 0.055297 ] [ 0.75 0 0.775933 ] [ 0.011516 0.875572 0.497655 ] [ 0.767162 0.75 0.219756 ] [ 0.232838 0.25 0.780244 ] [ 0.75 0.5 0.028083 ] [ 0.732838 0.25 0.219756 ] [ 0.488484 0.124428 0.497655 ] [ 0.75 0.5 0.775933 ] [ 0.988484 0.124428 0.502345 ] [ 0.61589 0.25 0.944703 ] [ 0.88411 0.75 0.944703 ] [ 0.25 0.5 0.224067 ] [ 0.25 0 0.971917 ] [ 0.011516 0.624428 0.497655 ] [ 0.488484 0.375572 0.497655 ] [ 0.25 0 0.224067 ] [ 0.75 0 0.028083 ] [ 0.511516 0.624428 0.502345 ] [ 0.988484 0.375572 0.502345 ] [ 0.25 0.5 0.971917 ] [ 0.511516 0.875572 0.502345 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.18968929 "source-unit" "angstrom" } "b" { "source-value" 12.16785117 "source-unit" "angstrom" } "c" { "source-value" 12.57147397 "source-unit" "angstrom" } }