{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm2_1b" } "basis-atom-coordinates" { "source-value" [ [ 0 0.983296 0.228201 ] [ 0 0.483296 0.771799 ] [ 0.5 0.522318 0.236104 ] [ 0.5 0.022318 0.763896 ] [ 0.5 0.499393 0.945726 ] [ 0 0.693805 0.259224 ] [ 0 0.193805 0.740776 ] [ 0.5 0.999393 0.054274 ] [ 0.5 0.999134 0.445489 ] [ 0 0.302055 0.258858 ] [ 0 0.802055 0.741142 ] [ 0.5 0.499134 0.554511 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "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" 3.09531315 "source-unit" "angstrom" } "b" { "source-value" 6.69171987 "source-unit" "angstrom" } "c" { "source-value" 6.69499007 "source-unit" "angstrom" } }