{ "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" [ [ 0.789139 0.633578 0.931891 ] [ 0.216157 0.344941 0.079904 ] [ 0.760689 0.903864 0.576195 ] [ 0.494647 0.890052 0.171532 ] [ 0.95812 0.628207 0.324604 ] [ 0.024932 0.365727 0.665375 ] [ 0.315059 0.138895 0.435761 ] [ 0.464353 0.123526 0.808764 ] [ 0.253084 0.012099 0.233225 ] [ 0.743849 0.293496 0.472662 ] [ 0.186222 0.11571 0.626231 ] [ 0.788818 0.52848 0.722667 ] [ 0.793659 0.882789 0.362092 ] [ 0.657388 0.635247 0.116409 ] [ 0.216505 0.756992 0.973011 ] [ 0.760503 0.223719 0.015268 ] [ 0.321599 0.724925 0.543135 ] [ 0.307659 0.366042 0.872408 ] [ 0.729641 0.957573 0.795407 ] [ 0.217979 0.474137 0.273462 ] ] } "species" { "source-value" [ "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "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" 5.44956817 "source-unit" "angstrom" } "b" { "source-value" 5.72286725 "source-unit" "angstrom" } "c" { "source-value" 9.19479989 "source-unit" "angstrom" } "alpha" { "source-value" 105.74480814 "source-unit" "degree" } "beta" { "source-value" 88.95925505 "source-unit" "degree" } "gamma" { "source-value" 117.61620674 "source-unit" "degree" } }