{ "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" [ [ 0.113746 0.125252 0.381649 ] [ 0.372739 0.388006 0.118298 ] [ 0.491277 0.498635 0.497485 ] [ 0.261046 0.260916 0.751605 ] [ 0.768716 0.727009 0.248827 ] [ 0.629578 0.632336 0.875622 ] [ 0.8614 0.865704 0.616905 ] [ 0.001075 0.008524 0.010206 ] [ 0.066613 0.426812 0.250731 ] [ 0.182401 0.808542 0.502881 ] [ 0.27724 0.279529 0.528036 ] [ 0.526399 0.524224 0.278539 ] [ 0.785036 0.779891 0.0323 ] [ 0.474965 0.482229 0.714965 ] [ 0.223472 0.22507 0.971252 ] [ 0.71259 0.710913 0.466384 ] [ 0.97081 0.965114 0.22991 ] [ 0.559913 0.945113 0.750303 ] [ 0.796869 0.186088 0.506021 ] [ 0.312303 0.705236 0.993305 ] [ 0.94149 0.562536 0.75029 ] [ 0.69525 0.314397 0.996852 ] [ 0.447759 0.046928 0.250095 ] [ 0.027312 0.030994 0.777536 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.52152659 "source-unit" "angstrom" } "b" { "source-value" 5.52572549 "source-unit" "angstrom" } "c" { "source-value" 8.89185927 "source-unit" "angstrom" } "alpha" { "source-value" 85.8088076 "source-unit" "degree" } "beta" { "source-value" 85.83847289 "source-unit" "degree" } "gamma" { "source-value" 73.00912226 "source-unit" "degree" } }