{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.28648 0.995544 ] [ 0 0.143229 0.333765 ] [ 0 0.282036 0.66799 ] [ 0.5 0.717964 0.16799 ] [ 0.5 0.71352 0.495544 ] [ 0.5 0.856771 0.833765 ] [ 0.5 0.985813 0.269769 ] [ 0.5 0.10073 0.931224 ] [ 0 0.014187 0.769769 ] [ 0 0.89927 0.431224 ] [ 0 0.549582 0.564807 ] [ 0.5 0.450418 0.064807 ] [ 0.5 0.071156 0.604879 ] [ 0 0.928844 0.104879 ] [ 0 0.49188 0.235266 ] [ 0 0.624081 0.896153 ] [ 0.5 0.375919 0.396153 ] [ 0.5 0.50812 0.735266 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "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" 3.02474924 "source-unit" "angstrom" } "b" { "source-value" 4.72082363 "source-unit" "angstrom" } "c" { "source-value" 14.01885315 "source-unit" "angstrom" } }