{ "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" [ [ 0.686231 0.681928 0.681327 ] [ 0.313769 0.318072 0.318673 ] [ 0.83299 0.845987 0.325495 ] [ 0.5 0.5 0 ] [ 0.16701 0.154013 0.674505 ] [ 0.333972 0.833593 0.330678 ] [ 0 0.5 0 ] [ 0.666028 0.166407 0.669322 ] [ 0.244663 0.727123 0.029834 ] [ 0.755701 0.709551 0.007263 ] [ 0.427968 0.932145 0.637103 ] [ 0.091231 0.606509 0.301414 ] [ 0.893263 0.94235 0.6456 ] [ 0.568022 0.612354 0.31571 ] [ 0.431978 0.387646 0.68429 ] [ 0.106737 0.05765 0.3544 ] [ 0.908769 0.393491 0.698586 ] [ 0.572032 0.067855 0.362897 ] [ 0.244299 0.290449 0.992737 ] [ 0.755337 0.272877 0.970166 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Co" "Co" "Co" "O" "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" 5.85011895 "source-unit" "angstrom" } "b" { "source-value" 5.97753663 "source-unit" "angstrom" } "c" { "source-value" 6.71085846 "source-unit" "angstrom" } "alpha" { "source-value" 105.18809608 "source-unit" "degree" } "beta" { "source-value" 103.27992254 "source-unit" "degree" } "gamma" { "source-value" 90.03682811 "source-unit" "degree" } }