{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1mn" } "basis-atom-coordinates" { "source-value" [ [ 0.724861 0.5 0.024741 ] [ 0.224861 0 0.975259 ] [ 0.661603 0 0.189403 ] [ 0.161603 0.5 0.810597 ] [ 0.14111 0.363937 0.201689 ] [ 0.858083 0.5 0.600223 ] [ 0.64111 0.136063 0.798311 ] [ 0.170441 0.345608 0.562344 ] [ 0.670441 0.845608 0.437656 ] [ 0.358083 0 0.399777 ] [ 0.670441 0.154392 0.437656 ] [ 0.64111 0.863937 0.798311 ] [ 0.170441 0.654392 0.562344 ] [ 0.14111 0.636063 0.201689 ] [ 0.582831 0 0.385111 ] [ 0.082831 0.5 0.614889 ] [ 0.519524 0.215985 0.117626 ] [ 0.020483 0.5 0.21165 ] [ 0.019524 0.715985 0.882374 ] [ 0.019524 0.284015 0.882374 ] [ 0.475523 0.5 0.829774 ] [ 0.975523 0 0.170226 ] [ 0.520483 0 0.78835 ] [ 0.519524 0.784015 0.117626 ] ] } "species" { "source-value" [ "Fe" "Fe" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "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" 4.84638808122 "source-unit" "angstrom" } "b" { "source-value" 5.78316859362 "source-unit" "angstrom" } "c" { "source-value" 8.99812816423 "source-unit" "angstrom" } }