{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.240821 0.838109 0.866084 ] [ 0.740821 0.661891 0.366084 ] [ 0.759179 0.161891 0.366084 ] [ 0.259179 0.338109 0.866084 ] [ 0.259293 0.003201 0.252243 ] [ 0.759293 0.496799 0.752243 ] [ 0.740707 0.996799 0.752243 ] [ 0.240707 0.503201 0.252243 ] [ 0.418798 0.213863 0.579271 ] [ 0.090146 0.262069 0.576699 ] [ 0.909854 0.737931 0.076699 ] [ 0.409854 0.762069 0.576699 ] [ 0.081202 0.713863 0.579271 ] [ 0.581202 0.786137 0.079271 ] [ 0.918798 0.286137 0.079271 ] [ 0.590146 0.237931 0.076699 ] [ 0.441771 0.848205 0.002555 ] [ 0.694133 0.440143 0.36553 ] [ 0.085781 0.34011 0.703153 ] [ 0.585781 0.15989 0.203153 ] [ 0.250932 0.214196 0.513261 ] [ 0.058229 0.348205 0.002555 ] [ 0.059265 0.768346 0.71311 ] [ 0.749068 0.785804 0.013261 ] [ 0.435956 0.272298 0.008295 ] [ 0.440735 0.268346 0.71311 ] [ 0.064044 0.772298 0.008295 ] [ 0.414219 0.84011 0.703153 ] [ 0.940735 0.231654 0.21311 ] [ 0.941771 0.651795 0.502555 ] [ 0.935956 0.227702 0.508295 ] [ 0.194133 0.059857 0.86553 ] [ 0.805867 0.940143 0.36553 ] [ 0.305867 0.559857 0.86553 ] [ 0.559265 0.731654 0.21311 ] [ 0.750932 0.285804 0.013261 ] [ 0.564044 0.727702 0.508295 ] [ 0.249068 0.714196 0.513261 ] [ 0.558229 0.151795 0.502555 ] [ 0.914219 0.65989 0.203153 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Tl" "Tl" "Tl" "Tl" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.49854977 "source-unit" "angstrom" } "b" { "source-value" 8.02265847 "source-unit" "angstrom" } "c" { "source-value" 9.58601891 "source-unit" "angstrom" } }