{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmme" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.869339 ] [ 0.391782 0 0.236636 ] [ 0 0.25 0.869339 ] [ 0 0.75 0.130661 ] [ 0 0.25 0.130661 ] [ 0.108218 0 0.236636 ] [ 0.608218 0 0.763364 ] [ 0.891782 0 0.763364 ] [ 0.5 0.25 0.869339 ] [ 0.891782 0.5 0.236636 ] [ 0.5 0.75 0.869339 ] [ 0.5 0.25 0.130661 ] [ 0.5 0.75 0.130661 ] [ 0.608218 0.5 0.236636 ] [ 0.108218 0.5 0.763364 ] [ 0.391782 0.5 0.763364 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "C" "C" "C" "C" "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" 4.9198174913 "source-unit" "angstrom" } "b" { "source-value" 5.1169962346 "source-unit" "angstrom" } "c" { "source-value" 5.43134353 "source-unit" "angstrom" } }