{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.988918 0 ] [ 0.5 0.022948 0 ] [ 0.23807 0.488118 0 ] [ 0.76193 0.488118 0 ] [ 0 0.488918 0.5 ] [ 0.5 0.522948 0.5 ] [ 0.23807 0.988118 0.5 ] [ 0.76193 0.988118 0.5 ] [ 0 0.290154 0 ] [ 0.5 0.328887 0 ] [ 0 0.694322 0 ] [ 0 0.790154 0.5 ] [ 0.5 0.828887 0.5 ] [ 0 0.194322 0.5 ] [ 0.241612 0.998134 0.19871 ] [ 0.758388 0.998134 0.19871 ] [ 0.5 0.705996 0 ] [ 0.758388 0.998134 0.80129 ] [ 0.241612 0.998134 0.80129 ] [ 0.241612 0.498134 0.69871 ] [ 0.758388 0.498134 0.69871 ] [ 0.5 0.205996 0.5 ] [ 0.758388 0.498134 0.30129 ] [ 0.241612 0.498134 0.30129 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "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" 6.19003681 "source-unit" "angstrom" } "b" { "source-value" 6.55723621 "source-unit" "angstrom" } "c" { "source-value" 7.03595618 "source-unit" "angstrom" } }