{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.564599 0 0.534921 ] [ 0.064599 0.5 0.465079 ] [ 0.968906 0 0.023558 ] [ 0.468906 0.5 0.976442 ] [ 0.578711 0.5 0.64918 ] [ 0.078711 0 0.35082 ] [ 0.919211 0.5 0.152619 ] [ 0.419211 0 0.847381 ] [ 0.347914 0 0.696492 ] [ 0.268251 0.5 0.629365 ] [ 0.720815 0.700247 0.577617 ] [ 0.720815 0.299753 0.577617 ] [ 0.220815 0.200247 0.422383 ] [ 0.220815 0.799753 0.422383 ] [ 0.768251 0 0.370635 ] [ 0.847914 0.5 0.303508 ] [ 0.137598 0 0.1987 ] [ 0.226135 0.5 0.131301 ] [ 0.773718 0.699799 0.078013 ] [ 0.773718 0.300201 0.078013 ] [ 0.273718 0.199799 0.921987 ] [ 0.273718 0.800201 0.921987 ] [ 0.726135 0 0.868699 ] [ 0.637598 0.5 0.8013 ] ] } "species" { "source-value" [ "Mn" "Mn" "Fe" "Fe" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.91802475 "source-unit" "angstrom" } "b" { "source-value" 6.00458539 "source-unit" "angstrom" } "c" { "source-value" 9.8935895 "source-unit" "angstrom" } }