{ "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 ] [ 0 0.5 0.126892 ] [ 0 0.5 0.873108 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.626892 ] [ 0.5 0 0.373108 ] [ 0.5 0.322596 0 ] [ 0.5 0.677404 0 ] [ 0 0 0.779436 ] [ 0 0 0.220564 ] [ 0 0.822596 0.5 ] [ 0 0.177404 0.5 ] [ 0.5 0.5 0.279436 ] [ 0.5 0.5 0.720564 ] [ 0.5 0.800969 0.825337 ] [ 0.5 0.800969 0.174663 ] [ 0.5 0.199031 0.825337 ] [ 0.5 0.199031 0.174663 ] [ 0 0.300969 0.325337 ] [ 0 0.300969 0.674663 ] [ 0 0.699031 0.325337 ] [ 0 0.699031 0.674663 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.19292810759 "source-unit" "angstrom" } "b" { "source-value" 7.17417620875 "source-unit" "angstrom" } "c" { "source-value" 13.9168007876 "source-unit" "angstrom" } }