{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im2m" } "basis-atom-coordinates" { "source-value" [ [ 0.259937 0.010491 0.5 ] [ 0.240063 0.510491 0 ] [ 0 0.475033 0.5 ] [ 0 0.00825 0 ] [ 0.759937 0.510491 0 ] [ 0.740063 0.010491 0.5 ] [ 0.5 0.975033 0 ] [ 0.5 0.50825 0.5 ] [ 0 0.177395 0.5 ] [ 0 0.708951 0 ] [ 0 0.304673 0 ] [ 0.5 0.677395 0 ] [ 0.5 0.208951 0.5 ] [ 0.5 0.804673 0.5 ] [ 0.758638 0.003227 0.799623 ] [ 0.241362 0.003227 0.799623 ] [ 0.5 0.29181 0 ] [ 0.758638 0.003227 0.200377 ] [ 0.241362 0.003227 0.200377 ] [ 0.258638 0.503227 0.299623 ] [ 0.741362 0.503227 0.299623 ] [ 0 0.79181 0.5 ] [ 0.258638 0.503227 0.700377 ] [ 0.741362 0.503227 0.700377 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.20814178 "source-unit" "angstrom" } "b" { "source-value" 6.48693342 "source-unit" "angstrom" } "c" { "source-value" 7.05982375 "source-unit" "angstrom" } }