{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.724378 0.856619 ] [ 0.5 0.275622 0.356619 ] [ 0 0.220521 0.642584 ] [ 0 0.779479 0.142584 ] [ 0.5 0.434203 0.715238 ] [ 0.5 0.076216 0.537197 ] [ 0.5 0.565797 0.215238 ] [ 0.5 0.923784 0.037197 ] [ 0 0.926438 0.781827 ] [ 0 0.073562 0.281827 ] [ 0 0.500238 0.954621 ] [ 0 0.499762 0.454621 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "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" 3.01180647 "source-unit" "angstrom" } "b" { "source-value" 4.74961601 "source-unit" "angstrom" } "c" { "source-value" 9.90007761 "source-unit" "angstrom" } }