{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.972565 0.220053 0.167532 ] [ 0.972565 0.220053 0.832468 ] [ 0.056279 0.270465 0.5 ] [ 0.556279 0.729535 0 ] [ 0.472565 0.779947 0.332468 ] [ 0.472565 0.779947 0.667532 ] [ 0.190631 0.071582 0.669726 ] [ 0.190631 0.071582 0.330274 ] [ 0.315702 0.580751 0.5 ] [ 0.690631 0.928418 0.169726 ] [ 0.690631 0.928418 0.830274 ] [ 0.815702 0.419249 0 ] [ 0.197518 0.029895 0 ] [ 0.302034 0.546837 0.164099 ] [ 0.302034 0.546837 0.835901 ] [ 0.697518 0.970105 0.5 ] [ 0.802034 0.453163 0.335901 ] [ 0.802034 0.453163 0.664099 ] ] } "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" 4.77401757 "source-unit" "angstrom" } "b" { "source-value" 4.77720087 "source-unit" "angstrom" } "c" { "source-value" 9.21509167 "source-unit" "angstrom" } }