{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.111397 0.645413 0.25 ] [ 0.388603 0.145413 0.25 ] [ 0.611397 0.854587 0.75 ] [ 0.888603 0.354587 0.75 ] [ 0.975748 0.661605 0.116346 ] [ 0.024252 0.338395 0.616346 ] [ 0.975748 0.661605 0.383654 ] [ 0.024252 0.338395 0.883654 ] [ 0.09647 0.111778 0.25 ] [ 0.40353 0.611778 0.25 ] [ 0.524252 0.161605 0.383654 ] [ 0.524252 0.161605 0.116346 ] [ 0.475748 0.838395 0.616346 ] [ 0.475748 0.838395 0.883654 ] [ 0.59647 0.388222 0.75 ] [ 0.90353 0.888222 0.75 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "C" "C" "C" "C" "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" 4.37097434 "source-unit" "angstrom" } "b" { "source-value" 6.27881727 "source-unit" "angstrom" } "c" { "source-value" 8.6353986 "source-unit" "angstrom" } }