{ "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" [ [ 0.992742 0.982707 0.995543 ] [ 0.298201 0.611916 0.135059 ] [ 0.850467 0.651254 0.372159 ] [ 0.602307 0.154578 0.349579 ] [ 0.40056 0.856131 0.654584 ] [ 0.147222 0.345492 0.609927 ] [ 0.674782 0.412704 0.872878 ] [ 0.928385 0.657805 0.06905 ] [ 0.57157 0.403119 0.176437 ] [ 0.592647 0.829927 0.410571 ] [ 0.18843 0.575399 0.416104 ] [ 0.820661 0.418667 0.594265 ] [ 0.404267 0.177466 0.590085 ] [ 0.413287 0.607187 0.833342 ] [ 0.319114 0.959494 0.114976 ] [ 0.941712 0.117543 0.316038 ] [ 0.055037 0.884867 0.671906 ] [ 0.682932 0.056268 0.888047 ] [ 0.11568 0.29748 0.929453 ] ] } "species" { "source-value" [ "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "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" 5.85159471 "source-unit" "angstrom" } "b" { "source-value" 6.03869681 "source-unit" "angstrom" } "c" { "source-value" 6.09873656 "source-unit" "angstrom" } "alpha" { "source-value" 100.22655895 "source-unit" "degree" } "beta" { "source-value" 99.97609011 "source-unit" "degree" } "gamma" { "source-value" 98.77386173 "source-unit" "degree" } }