{ "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" [ [ 0.759984 0.5 0.106963 ] [ 0.436911 0.5 0.289084 ] [ 0.204821 0 0.398472 ] [ 0.000502 0.5 0.499732 ] [ 0.789492 0 0.603428 ] [ 0.411091 0 0.797188 ] [ 0.205441 0.5 0.902871 ] [ 0.994011 0 0.001716 ] [ 0.701837 0 0.398408 ] [ 0.318783 0 0.601585 ] [ 0.882055 0 0.800316 ] [ 0.496445 0 0.001556 ] [ 0.298553 0.5 0.100576 ] [ 0.098318 0 0.198477 ] [ 0.902876 0.5 0.296749 ] [ 0.500834 0.5 0.498438 ] [ 0.100139 0.5 0.700657 ] [ 0.698232 0.5 0.903731 ] [ 0.274829 0.5 0.005396 ] [ 0.513762 0 0.095129 ] [ 0.077107 0 0.105277 ] [ 0.891144 0.5 0.202728 ] [ 0.306049 0.5 0.194555 ] [ 0.684137 0 0.299844 ] [ 0.121742 0 0.291431 ] [ 0.941497 0.5 0.393879 ] [ 0.463432 0.5 0.401344 ] [ 0.725695 0 0.498141 ] [ 0.27559 0 0.501094 ] [ 0.543737 0.5 0.59347 ] [ 0.072409 0.5 0.606784 ] [ 0.890759 0 0.701221 ] [ 0.310183 0 0.700145 ] [ 0.656888 0.5 0.808316 ] [ 0.128384 0.5 0.794551 ] [ 0.925577 0 0.901158 ] [ 0.47807 0 0.906463 ] [ 0.718658 0.5 0.99885 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" 5.92033159 "source-unit" "angstrom" } "b" { "source-value" 2.87642119 "source-unit" "angstrom" } "c" { "source-value" 20.50750118 "source-unit" "angstrom" } "beta" { "source-value" 96.85104112 "source-unit" "degree" } }