{ "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" [ [ 0.347294 0.168636 0.422478 ] [ 0.152706 0.668636 0.077522 ] [ 0.847294 0.331364 0.922478 ] [ 0.339664 0.450209 0.75 ] [ 0.152706 0.668636 0.422478 ] [ 0.347294 0.168636 0.077522 ] [ 0.160336 0.950209 0.75 ] [ 0.652706 0.831364 0.922478 ] [ 0.847294 0.331364 0.577522 ] [ 0.660336 0.549791 0.25 ] [ 0.652706 0.831364 0.577522 ] [ 0.839664 0.049791 0.25 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 4.65716427 "source-unit" "angstrom" } "b" { "source-value" 5.04730023 "source-unit" "angstrom" } "c" { "source-value" 7.04132907 "source-unit" "angstrom" } }