{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.767106 0.805131 0.465653 ] [ 0.232894 0.194869 0.534347 ] [ 0.789231 0.300412 0.054102 ] [ 0.210769 0.699588 0.945898 ] [ 0.608389 0.204046 0.365079 ] [ 0.956478 0.496991 0.75679 ] [ 0.564371 0.685476 0.119914 ] [ 0.391611 0.795954 0.634921 ] [ 0.435629 0.314524 0.880086 ] [ 0.906069 0.99822 0.792205 ] [ 0.093931 0.00178 0.207795 ] [ 0.043521 0.503009 0.24321 ] ] } "species" { "source-value" [ "Na" "Na" "Gd" "Gd" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.77811215146 "source-unit" "angstrom" } "b" { "source-value" 6.83814009413 "source-unit" "angstrom" } "c" { "source-value" 7.091242849 "source-unit" "angstrom" } "alpha" { "source-value" 89.2966603259 "source-unit" "degree" } "beta" { "source-value" 87.7142629196 "source-unit" "degree" } "gamma" { "source-value" 78.1057015576 "source-unit" "degree" } }