{ "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" [ [ 0.5 0 0.5 ] [ 0.75 0.25 0 ] [ 0 0 0.5 ] [ 0.25 0.25 0 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.989117 0.768728 0.758887 ] [ 0.238215 0 0.23106 ] [ 0.989117 0.231272 0.758887 ] [ 0.246956 0.5 0.282678 ] [ 0.753044 0.5 0.717322 ] [ 0.010883 0.768728 0.241113 ] [ 0.761785 0 0.76894 ] [ 0.010883 0.231272 0.241113 ] [ 0.489117 0.268728 0.758887 ] [ 0.738215 0.5 0.23106 ] [ 0.489117 0.731272 0.758887 ] [ 0.746956 0 0.282678 ] [ 0.253044 0 0.717322 ] [ 0.510883 0.268728 0.241113 ] [ 0.261785 0.5 0.76894 ] [ 0.510883 0.731272 0.241113 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "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" 9.99614248 "source-unit" "angstrom" } "b" { "source-value" 5.82533201 "source-unit" "angstrom" } "c" { "source-value" 5.8286884 "source-unit" "angstrom" } "beta" { "source-value" 125.52272803 "source-unit" "degree" } }