{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C222_1" } "basis-atom-coordinates" { "source-value" [ [ 0.514378 0 0.5 ] [ 0.485622 0 0 ] [ 0 0.995121 0.25 ] [ 0 0.004879 0.75 ] [ 0.263337 0.245223 0.619679 ] [ 0.263337 0.754777 0.380321 ] [ 0.736663 0.754777 0.119679 ] [ 0.736663 0.245223 0.880321 ] [ 0.014378 0.5 0.5 ] [ 0.985622 0.5 0 ] [ 0.5 0.495121 0.25 ] [ 0.5 0.504879 0.75 ] [ 0.763337 0.745223 0.619679 ] [ 0.763337 0.254777 0.380321 ] [ 0.236663 0.254777 0.119679 ] [ 0.236663 0.745223 0.880321 ] [ 0.5 0.938966 0.25 ] [ 0.5 0.061034 0.75 ] [ 0.672816 0.852825 0.837095 ] [ 0.672816 0.147175 0.162905 ] [ 0.327184 0.147175 0.337095 ] [ 0.327184 0.852825 0.662905 ] [ 0.253549 0.172633 0.87129 ] [ 0.253549 0.827367 0.12871 ] [ 0.018132 0.088469 0.489676 ] [ 0.018132 0.911531 0.510324 ] [ 0.981868 0.911531 0.989676 ] [ 0.981868 0.088469 0.010324 ] [ 0.746451 0.172633 0.62871 ] [ 0.746451 0.827367 0.37129 ] [ 0 0.438966 0.25 ] [ 0 0.561034 0.75 ] [ 0.172816 0.352825 0.837095 ] [ 0.172816 0.647175 0.162905 ] [ 0.827184 0.647175 0.337095 ] [ 0.827184 0.352825 0.662905 ] [ 0.753549 0.672633 0.87129 ] [ 0.753549 0.327367 0.12871 ] [ 0.518132 0.588469 0.489676 ] [ 0.518132 0.411531 0.510324 ] [ 0.481868 0.411531 0.989676 ] [ 0.481868 0.588469 0.010324 ] [ 0.246451 0.672633 0.62871 ] [ 0.246451 0.327367 0.37129 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" 6.04847333 "source-unit" "angstrom" } "b" { "source-value" 14.04817452 "source-unit" "angstrom" } "c" { "source-value" 12.0932752 "source-unit" "angstrom" } }