{ "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 0 0 ] [ 0.349684 0.25 0.269081 ] [ 0 0.5 0 ] [ 0.650316 0.75 0.730919 ] [ 0.510079 0.75 0.239919 ] [ 0.489921 0.25 0.760081 ] [ 0.834326 0.25 0.232545 ] [ 0.165674 0.75 0.767455 ] [ 0.694466 0.043871 0.798623 ] [ 0.323545 0.25 0.546756 ] [ 0.694466 0.456129 0.798623 ] [ 0.305534 0.956129 0.201377 ] [ 0.676455 0.75 0.453244 ] [ 0.240086 0.25 0.935541 ] [ 0.305534 0.543871 0.201377 ] [ 0.759914 0.75 0.064459 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "As" "As" "Cl" "Cl" "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" 4.99458819879 "source-unit" "angstrom" } "b" { "source-value" 6.71263237323 "source-unit" "angstrom" } "c" { "source-value" 6.9595892884 "source-unit" "angstrom" } "beta" { "source-value" 91.4945894297 "source-unit" "degree" } }