{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.757903 0.5 0.90896 ] [ 0.246118 0.275369 0.726406 ] [ 0.246118 0.724631 0.726406 ] [ 0.754063 0.777208 0.27385 ] [ 0.754063 0.222792 0.27385 ] [ 0.24097 0 0.091922 ] [ 0.221028 0.5 0.340557 ] [ 0.785556 0 0.663532 ] [ 0.719175 0.5 0.590006 ] [ 0.280201 0 0.411481 ] [ 0.70483 0 0.965313 ] [ 0.295348 0.5 0.032712 ] [ 0.950209 0 0.928562 ] [ 0.354671 0.5 0.886968 ] [ 0.51249 0 0.852632 ] [ 0.826942 0.314697 0.688882 ] [ 0.826942 0.685303 0.688882 ] [ 0.181202 0 0.578948 ] [ 0.405075 0.5 0.576268 ] [ 0.594397 0 0.427796 ] [ 0.81136 0.5 0.420288 ] [ 0.173513 0.184059 0.310012 ] [ 0.173513 0.815941 0.310012 ] [ 0.490056 0.5 0.144492 ] [ 0.644628 0 0.111566 ] [ 0.04963 0.5 0.069699 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Fe" "P" "P" "C" "C" "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" 4.99688039 "source-unit" "angstrom" } "b" { "source-value" 6.5754046 "source-unit" "angstrom" } "c" { "source-value" 8.52896594 "source-unit" "angstrom" } "beta" { "source-value" 94.52640002 "source-unit" "degree" } }