{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.00311 0.173151 0.595046 ] [ 0.50311 0.326849 0.904954 ] [ 0.49689 0.673151 0.404954 ] [ 0.99689 0.826849 0.095046 ] [ 0.99689 0.826849 0.404954 ] [ 0.49689 0.673151 0.095046 ] [ 0.50311 0.326849 0.595046 ] [ 0.00311 0.173151 0.904954 ] [ 0.341068 0.832139 0.872062 ] [ 0.841068 0.667861 0.627938 ] [ 0.658932 0.167861 0.372062 ] [ 0.158932 0.332139 0.127938 ] [ 0.158932 0.332139 0.372062 ] [ 0.658932 0.167861 0.127938 ] [ 0.333396 0.009188 0.25 ] [ 0.841068 0.667861 0.872062 ] [ 0.666604 0.990812 0.75 ] [ 0.166604 0.509188 0.75 ] [ 0.833396 0.490812 0.25 ] [ 0.341068 0.832139 0.627938 ] [ 0.327887 0.044202 0.455299 ] [ 0.827887 0.455798 0.044701 ] [ 0.672113 0.955798 0.955299 ] [ 0.172113 0.544202 0.544701 ] [ 0.172113 0.544202 0.955299 ] [ 0.672113 0.955798 0.544701 ] [ 0.827887 0.455798 0.455299 ] [ 0.327887 0.044202 0.044701 ] [ 0.80852 0.365612 0.75 ] [ 0.30852 0.134388 0.75 ] [ 0.69148 0.865612 0.25 ] [ 0.19148 0.634388 0.25 ] [ 0.039328 0.867709 0.75 ] [ 0.539328 0.632291 0.75 ] [ 0.460672 0.367709 0.25 ] [ 0.960672 0.132291 0.25 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" 7.05739581 "source-unit" "angstrom" } "b" { "source-value" 7.18623532 "source-unit" "angstrom" } "c" { "source-value" 13.49170325 "source-unit" "angstrom" } }