{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_122" } "basis-atom-coordinates" { "source-value" [ [ 0.747227 0.25 0 ] [ 0.252773 0.75 0 ] [ 0.744874 0.75 0.5 ] [ 0.255126 0.25 0.5 ] [ 0.5 0 0.742496 ] [ 0.5 0.5 0.257504 ] [ 0 0.5 0.74193 ] [ 0 0 0.25807 ] ] } "species" { "source-value" [ "B" "B" "C" "C" "C" "C" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.60175008 "source-unit" "angstrom" } "b" { "source-value" 3.6076427 "source-unit" "angstrom" } "c" { "source-value" 3.65102306 "source-unit" "angstrom" } }