{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.123332 0.5733 ] [ 0 0.859952 0.423911 ] [ 0 0.140048 0.923911 ] [ 0 0.876668 0.0733 ] [ 0.5 0.878407 0.739782 ] [ 0.5 0.121593 0.239782 ] [ 0.5 0.623332 0.5733 ] [ 0.5 0.359952 0.423911 ] [ 0.5 0.640048 0.923911 ] [ 0.5 0.376668 0.0733 ] [ 0 0.378407 0.739782 ] [ 0 0.621593 0.239782 ] [ 0 0.032184 0.753351 ] [ 0 0.957433 0.254256 ] [ 0 0.230883 0.109987 ] [ 0 0.77122 0.886051 ] [ 0 0.22878 0.386051 ] [ 0 0.769117 0.609987 ] [ 0.5 0.986832 0.509689 ] [ 0.5 0.013168 0.009689 ] [ 0.5 0.532184 0.753351 ] [ 0.5 0.457433 0.254256 ] [ 0.5 0.730883 0.109987 ] [ 0.5 0.27122 0.886051 ] [ 0.5 0.72878 0.386051 ] [ 0.5 0.269117 0.609987 ] [ 0 0.486832 0.509689 ] [ 0 0.513168 0.009689 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "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" 2.94267138 "source-unit" "angstrom" } "b" { "source-value" 9.76635167 "source-unit" "angstrom" } "c" { "source-value" 9.99026161 "source-unit" "angstrom" } }