{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.05566 0.670592 0.256141 ] [ 0.94434 0.170592 0.743859 ] [ 0.568837 0.328992 0.278941 ] [ 0.431163 0.828992 0.721059 ] [ 0.079118 0.423423 0.504596 ] [ 0.920882 0.923423 0.495404 ] [ 0.568724 0.076973 0.01207 ] [ 0.431276 0.576973 0.98793 ] [ 0.07052 0.916979 0.999523 ] [ 0.92948 0.416979 0.000477 ] [ 0.573236 0.583385 0.491601 ] [ 0.426764 0.083385 0.508399 ] [ 0.117183 0.065008 0.526028 ] [ 0.077224 0.545135 0.000887 ] [ 0.009744 0.84234 0.765429 ] [ 0.001878 0.341287 0.774584 ] [ 0.998122 0.841287 0.225416 ] [ 0.990256 0.34234 0.234571 ] [ 0.922776 0.045135 0.999113 ] [ 0.882817 0.565008 0.473972 ] [ 0.619345 0.43699 0.009006 ] [ 0.539876 0.156096 0.729203 ] [ 0.564772 0.951684 0.50577 ] [ 0.502933 0.659162 0.718295 ] [ 0.497067 0.159162 0.281705 ] [ 0.435228 0.451684 0.49423 ] [ 0.460124 0.656096 0.270797 ] [ 0.380655 0.93699 0.990994 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "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" 5.27585601 "source-unit" "angstrom" } "b" { "source-value" 11.32490605 "source-unit" "angstrom" } "c" { "source-value" 5.96096175 "source-unit" "angstrom" } "beta" { "source-value" 91.37317813 "source-unit" "degree" } }