{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.451687 0.909858 ] [ 0 0.267085 0.746872 ] [ 0 0.767085 0.753128 ] [ 0 0.548313 0.090142 ] [ 0 0.951687 0.590142 ] [ 0 0 0 ] [ 0 0.732915 0.253128 ] [ 0 0.048313 0.409858 ] [ 0 0.5 0.5 ] [ 0 0.232915 0.246872 ] [ 0.5 0.813845 0.878214 ] [ 0.5 0.186155 0.121786 ] [ 0.5 0.686155 0.378214 ] [ 0.5 0.313845 0.621786 ] [ 0.5 0.803707 0.494738 ] [ 0 0.473772 0.364455 ] [ 0 0.973772 0.135545 ] [ 0.5 0.512128 0.811739 ] [ 0.5 0.487872 0.188261 ] [ 0 0.026228 0.864455 ] [ 0 0.526228 0.635545 ] [ 0.5 0.987872 0.311739 ] [ 0.5 0.196293 0.505262 ] [ 0.5 0.012128 0.688261 ] [ 0.5 0.303707 0.005262 ] [ 0.5 0.696293 0.994738 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Al" "Al" "Al" "Al" "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" 4.44039385 "source-unit" "angstrom" } "b" { "source-value" 7.37470171 "source-unit" "angstrom" } "c" { "source-value" 23.10434672 "source-unit" "angstrom" } }