{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.891004 0.789544 0.424167 ] [ 0.450091 0.891684 0.213965 ] [ 0.79049 0.550686 0.881964 ] [ 0.323663 0.682122 0.670369 ] [ 0.20951 0.449314 0.118036 ] [ 0.676337 0.317878 0.329631 ] [ 0.549909 0.108316 0.786035 ] [ 0.108996 0.210456 0.575833 ] [ 0.834485 0.646743 0.155611 ] [ 0.923367 0.880117 0.715836 ] [ 0.727826 0.451369 0.611784 ] [ 0.414245 0.744239 0.943272 ] [ 0.272174 0.548631 0.388216 ] [ 0.585755 0.255761 0.056728 ] [ 0.076633 0.119883 0.284164 ] [ 0.165515 0.353257 0.844389 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 5.31101363 "source-unit" "angstrom" } "b" { "source-value" 5.35250559 "source-unit" "angstrom" } "c" { "source-value" 6.82890966 "source-unit" "angstrom" } "alpha" { "source-value" 82.15087003 "source-unit" "degree" } "beta" { "source-value" 74.66923483 "source-unit" "degree" } "gamma" { "source-value" 80.75265141 "source-unit" "degree" } }