{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.455932 0.718888 ] [ 0.25 0.668231 0.061428 ] [ 0.75 0.331769 0.938572 ] [ 0.75 0.955932 0.781112 ] [ 0.75 0.831769 0.561428 ] [ 0.25 0.168231 0.438572 ] [ 0.25 0.544068 0.281112 ] [ 0.25 0.044068 0.218888 ] [ 0.75 0.002419 0.063043 ] [ 0.75 0.867662 0.349213 ] [ 0.75 0.502419 0.436957 ] [ 0.75 0.367662 0.150787 ] [ 0.25 0.997581 0.936957 ] [ 0.25 0.497581 0.563043 ] [ 0.25 0.132338 0.650787 ] [ 0.25 0.632338 0.849213 ] [ 0.75 0.242494 0.316957 ] [ 0.25 0.735975 0.434304 ] [ 0.75 0.764025 0.934304 ] [ 0.25 0.257506 0.816957 ] [ 0.75 0.264025 0.565696 ] [ 0.75 0.742494 0.183043 ] [ 0.25 0.757506 0.683043 ] [ 0.25 0.235975 0.065696 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.07118328 "source-unit" "angstrom" } "b" { "source-value" 7.22371262 "source-unit" "angstrom" } "c" { "source-value" 15.87838802 "source-unit" "angstrom" } }