{ "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" [ [ 0.104273 0.753377 0.031504 ] [ 0.895727 0.246623 0.968496 ] [ 0.658059 0.628047 0.250573 ] [ 0.341941 0.371953 0.749427 ] [ 0.337457 0.814625 0.605742 ] [ 0.662543 0.185375 0.394258 ] [ 0.739128 0.52532 0.956485 ] [ 0.260872 0.47468 0.043515 ] [ 0 0 0 ] [ 0.925958 0.207235 0.631685 ] [ 0.074042 0.792765 0.368315 ] [ 0.393435 0.277822 0.460719 ] [ 0.2155 0.655822 0.73784 ] [ 0.7845 0.344178 0.26216 ] [ 0.463266 0.091491 0.787949 ] [ 0.536734 0.908509 0.212051 ] [ 0.606565 0.722178 0.539281 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "As" "As" "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" 5.14403118946 "source-unit" "angstrom" } "b" { "source-value" 6.57525999153 "source-unit" "angstrom" } "c" { "source-value" 6.73326961568 "source-unit" "angstrom" } "alpha" { "source-value" 108.940717381 "source-unit" "degree" } "beta" { "source-value" 106.128997131 "source-unit" "degree" } "gamma" { "source-value" 98.1476846395 "source-unit" "degree" } }