{ "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" [ [ 0.766802 0.25 0.224906 ] [ 0.233198 0.75 0.775094 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.593183 0.75 0.245904 ] [ 0.406817 0.25 0.754096 ] [ 0.839248 0.25 0.502981 ] [ 0.254386 0.25 0.200156 ] [ 0.745614 0.75 0.799844 ] [ 0.160752 0.75 0.497019 ] [ 0.238796 0.037814 0.838627 ] [ 0.761204 0.537814 0.161373 ] [ 0.761204 0.962186 0.161373 ] [ 0.250984 0.75 0.072363 ] [ 0.749016 0.25 0.927637 ] [ 0.238796 0.462186 0.838627 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Te" "Te" "Cl" "Cl" "Cl" "Cl" "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" 5.05981267798 "source-unit" "angstrom" } "b" { "source-value" 6.74321946771 "source-unit" "angstrom" } "c" { "source-value" 8.52884286045 "source-unit" "angstrom" } "beta" { "source-value" 105.279330691 "source-unit" "degree" } }