{ "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" [ [ 0.354129 0.153247 0.551956 ] [ 0.817031 0.567909 0.267472 ] [ 0.850136 0.640076 0.949326 ] [ 0.993523 0.1939 0.416283 ] [ 0.188018 0.993765 0.923158 ] [ 0.807499 0.003826 0.081587 ] [ 0.003083 0.817233 0.578825 ] [ 0.132929 0.870258 0.249055 ] [ 0.314365 0.535537 0.402716 ] [ 0.472382 0.676649 0.099045 ] [ 0.51953 0.323541 0.901291 ] [ 0.675231 0.48237 0.599148 ] [ 0.854909 0.144319 0.750589 ] [ 0.057361 0.143429 0.298588 ] [ 0.114244 0.045807 0.811283 ] [ 0.17369 0.610045 0.312936 ] [ 0.517765 0.365761 0.094007 ] [ 0.106741 0.81244 0.455472 ] [ 0.192216 0.90401 0.048278 ] [ 0.290365 0.266573 0.439327 ] [ 0.233836 0.317787 0.933272 ] [ 0.374493 0.493355 0.589166 ] [ 0.430493 0.762643 0.195341 ] [ 0.575489 0.224459 0.808154 ] [ 0.629035 0.493831 0.394484 ] [ 0.734982 0.708275 0.060906 ] [ 0.678622 0.769734 0.566896 ] [ 0.797507 0.073947 0.951065 ] [ 0.917351 0.210477 0.548649 ] [ 0.50794 0.622384 0.912936 ] [ 0.78039 0.423184 0.692414 ] [ 0.891673 0.893654 0.19209 ] [ 0.950772 0.886417 0.691465 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.49530675 "source-unit" "angstrom" } "b" { "source-value" 5.51151757 "source-unit" "angstrom" } "c" { "source-value" 16.64361893 "source-unit" "angstrom" } "alpha" { "source-value" 86.14323871 "source-unit" "degree" } "beta" { "source-value" 86.76361266 "source-unit" "degree" } "gamma" { "source-value" 60.62101731 "source-unit" "degree" } }