{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.127342 ] [ 0 0 0.872658 ] [ 0 0.5 0 ] [ 0.5 0.5 0.627342 ] [ 0.5 0.5 0.372658 ] [ 0.5 0 0.5 ] [ 0.5 0.307163 0.833069 ] [ 0.5 0.692837 0.166931 ] [ 0.5 0.307163 0.166931 ] [ 0.5 0.692837 0.833069 ] [ 0 0.807163 0.333069 ] [ 0 0.192837 0.666931 ] [ 0 0.807163 0.666931 ] [ 0 0.192837 0.333069 ] [ 0.5 0.180613 0 ] [ 0 0.5 0.78186 ] [ 0.5 0.819387 0 ] [ 0 0.5 0.21814 ] [ 0 0.680613 0.5 ] [ 0.5 0 0.28186 ] [ 0 0.319387 0.5 ] [ 0.5 0 0.71814 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.45975017507 "source-unit" "angstrom" } "b" { "source-value" 7.24308088303 "source-unit" "angstrom" } "c" { "source-value" 14.7466396611 "source-unit" "angstrom" } }