{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm2m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.295241 0.701675 ] [ 0.5 0.295241 0.298325 ] [ 0.5 0.905462 0.5 ] [ 0.5 0.796468 0.79951 ] [ 0.5 0.796468 0.20049 ] [ 0 0.745192 0 ] [ 0 0.626049 0.629362 ] [ 0.5 0.401665 0 ] [ 0 0.245416 0.5 ] [ 0 0.12362 0.87148 ] [ 0 0.12362 0.12852 ] [ 0 0.626049 0.370638 ] [ 0.5 0.000857 0 ] [ 0 0.495339 0.835406 ] [ 0 0.999317 0.334295 ] [ 0 0.999317 0.665705 ] [ 0.5 0.501654 0.5 ] [ 0 0.495339 0.164594 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "Co" "Co" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.58986715 "source-unit" "angstrom" } "b" { "source-value" 6.0220259 "source-unit" "angstrom" } "c" { "source-value" 10.35843267 "source-unit" "angstrom" } }