{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.534639 ] [ 0.75 0 0.465361 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.75 0.5 0.034639 ] [ 0.25 0.5 0.965361 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0 0.821728 ] [ 0 0.19311 0.5 ] [ 0 0.69311 0 ] [ 0.5 0.30689 0 ] [ 0 0.30689 0 ] [ 0.75 0 0.178272 ] [ 0.75 0.5 0.321728 ] [ 0.5 0.69311 0 ] [ 0.5 0.19311 0.5 ] [ 0 0.80689 0.5 ] [ 0.5 0.80689 0.5 ] [ 0.25 0.5 0.678272 ] [ 0.75 0 0.797511 ] [ 0.25 0 0.202489 ] [ 0.25 0.5 0.297511 ] [ 0.75 0.5 0.702489 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.02280926 "source-unit" "angstrom" } "b" { "source-value" 6.40146593 "source-unit" "angstrom" } "c" { "source-value" 6.905395 "source-unit" "angstrom" } }