{ "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 0.5 0 ] [ 0 0 0.867924 ] [ 0 0 0.132076 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.367924 ] [ 0.5 0.5 0.632076 ] [ 0.5 0.687421 0.166596 ] [ 0.5 0.312579 0.833404 ] [ 0.5 0.312579 0.166596 ] [ 0.5 0.687421 0.833404 ] [ 0 0.187421 0.666596 ] [ 0 0.812579 0.333404 ] [ 0 0.812579 0.666596 ] [ 0 0.187421 0.333404 ] [ 0 0.5 0.783553 ] [ 0.5 0.80941 0 ] [ 0.5 0.19059 0 ] [ 0 0.5 0.216447 ] [ 0.5 0 0.283553 ] [ 0 0.30941 0.5 ] [ 0 0.69059 0.5 ] [ 0.5 0 0.716447 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 4.35770445952 "source-unit" "angstrom" } "b" { "source-value" 6.66708809221 "source-unit" "angstrom" } "c" { "source-value" 14.1563448588 "source-unit" "angstrom" } }