{ "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" [ [ 0.76887 0.973843 0.289177 ] [ 0.23113 0.026157 0.710823 ] [ 0.84377 0.25 0.915973 ] [ 0.15623 0.75 0.084027 ] [ 0.76887 0.526157 0.289177 ] [ 0.23113 0.473843 0.710823 ] [ 0.760128 0.75 0.670263 ] [ 0.239872 0.25 0.329737 ] [ 0.698804 0.25 0.582349 ] [ 0.301196 0.75 0.417651 ] [ 0.658421 0.75 0.987479 ] [ 0.341579 0.25 0.012521 ] [ 0.209218 0.75 0.583501 ] [ 0.863722 0.75 0.906079 ] [ 0.576936 0.25 0.078502 ] [ 0.423064 0.75 0.921498 ] [ 0.195455 0.563044 0.317894 ] [ 0.136278 0.25 0.093921 ] [ 0.195455 0.936956 0.317894 ] [ 0.804545 0.436956 0.682106 ] [ 0.804545 0.063044 0.682106 ] [ 0.390406 0.25 0.563749 ] [ 0.708727 0.75 0.137323 ] [ 0.291273 0.25 0.862677 ] [ 0.609594 0.75 0.436251 ] [ 0.790782 0.25 0.416499 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "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" 5.10778223533 "source-unit" "angstrom" } "b" { "source-value" 6.49625737 "source-unit" "angstrom" } "c" { "source-value" 8.63862810607 "source-unit" "angstrom" } "beta" { "source-value" 95.3532896601 "source-unit" "degree" } }