{ "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" [ [ 0.25 0.578297 0.641238 ] [ 0.75 0.421703 0.358762 ] [ 0.25 0.078297 0.858762 ] [ 0.75 0.921703 0.141238 ] [ 0.75 0.578336 0.899351 ] [ 0.75 0.078336 0.600649 ] [ 0.25 0.421664 0.100649 ] [ 0.25 0.921664 0.399351 ] [ 0.25 0.234763 0.509299 ] [ 0.75 0.765237 0.490701 ] [ 0.25 0.734763 0.990701 ] [ 0.75 0.265237 0.009299 ] [ 0.25 0.668036 0.254073 ] [ 0.75 0.831964 0.754073 ] [ 0.25 0.168036 0.245927 ] [ 0.75 0.331964 0.745927 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "V" "V" "V" "V" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.19117739 "source-unit" "angstrom" } "b" { "source-value" 5.5600765 "source-unit" "angstrom" } "c" { "source-value" 10.77836691 "source-unit" "angstrom" } }