{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0.5 0 0 ] [ 0.223048 0.5 0.203226 ] [ 0.000906 0.251997 0.214549 ] [ 0.000906 0.748003 0.214549 ] [ 0.226369 0 0.212902 ] [ 0.773631 0 0.787098 ] [ 0.999094 0.251997 0.785451 ] [ 0.999094 0.748003 0.785451 ] [ 0.776952 0.5 0.796774 ] [ 0.723048 0 0.203226 ] [ 0.500906 0.751997 0.214549 ] [ 0.500906 0.248003 0.214549 ] [ 0.726369 0.5 0.212902 ] [ 0.273631 0.5 0.787098 ] [ 0.499094 0.751997 0.785451 ] [ 0.499094 0.248003 0.785451 ] [ 0.276952 0 0.796774 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 10.20621023 "source-unit" "angstrom" } "b" { "source-value" 5.72203132 "source-unit" "angstrom" } "c" { "source-value" 5.86202235 "source-unit" "angstrom" } "beta" { "source-value" 124.40743588 "source-unit" "degree" } }