{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.517565 0.842909 0.672755 ] [ 0.497514 0.498358 0.99793 ] [ 0.498995 0.16799 0.334427 ] [ 0.993789 0.323879 0.668514 ] [ 0.986342 0.665662 0.323987 ] [ 0.00364 0.000369 0.000906 ] [ 0.811576 0.3778 0.437256 ] [ 0.814941 0.030432 0.779416 ] [ 0.803697 0.711222 0.094045 ] [ 0.692238 0.208277 0.104179 ] [ 0.688925 0.534044 0.767218 ] [ 0.692192 0.873885 0.437097 ] [ 0.310614 0.130428 0.564615 ] [ 0.305939 0.463039 0.231055 ] [ 0.307758 0.788682 0.895536 ] [ 0.185267 0.960197 0.226385 ] [ 0.191947 0.286848 0.899968 ] [ 0.197061 0.635979 0.56471 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.63381794 "source-unit" "angstrom" } "b" { "source-value" 5.50847965 "source-unit" "angstrom" } "c" { "source-value" 7.55472779 "source-unit" "angstrom" } "alpha" { "source-value" 84.91090643 "source-unit" "degree" } "beta" { "source-value" 89.07644099 "source-unit" "degree" } "gamma" { "source-value" 88.78383877 "source-unit" "degree" } }