{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.978061 0.25 0.281694 ] [ 0.021939 0.75 0.718306 ] [ 0.473451 0.75 0.220593 ] [ 0.526549 0.25 0.779407 ] [ 0.417256 0.25 0.094359 ] [ 0.917135 0.75 0.407124 ] [ 0.082865 0.25 0.592876 ] [ 0.582744 0.75 0.905641 ] [ 0.708572 0.75 0.045052 ] [ 0.74128 0.25 0.097812 ] [ 0.283534 0.046141 0.165678 ] [ 0.283534 0.453859 0.165678 ] [ 0.782919 0.954933 0.336028 ] [ 0.782919 0.545067 0.336028 ] [ 0.240632 0.75 0.406007 ] [ 0.207966 0.25 0.453352 ] [ 0.792034 0.75 0.546648 ] [ 0.759368 0.25 0.593993 ] [ 0.217081 0.045067 0.663972 ] [ 0.217081 0.454933 0.663972 ] [ 0.716466 0.546141 0.834322 ] [ 0.716466 0.953859 0.834322 ] [ 0.25872 0.75 0.902188 ] [ 0.291428 0.25 0.954948 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Zn" "Zn" "Fe" "Fe" "P" "P" "P" "P" "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" 4.75774972 "source-unit" "angstrom" } "b" { "source-value" 6.04614374 "source-unit" "angstrom" } "c" { "source-value" 10.32832484 "source-unit" "angstrom" } "beta" { "source-value" 90.35797387 "source-unit" "degree" } }