{ "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" [ [ 0.331777 0 0.839948 ] [ 0.348314 0 0.33466 ] [ 0.651686 0 0.66534 ] [ 0.668223 0 0.160052 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.831777 0.5 0.839948 ] [ 0.848314 0.5 0.33466 ] [ 0.151686 0.5 0.66534 ] [ 0.168223 0.5 0.160052 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.434896 0 0.629831 ] [ 0.752372 0 0.956255 ] [ 0.565104 0 0.370169 ] [ 0.247628 0 0.043745 ] [ 0.934896 0.5 0.629831 ] [ 0.252372 0.5 0.956255 ] [ 0.065104 0.5 0.370169 ] [ 0.747628 0.5 0.043745 ] [ 0.832745 0.807388 0.32975 ] [ 0.167255 0.807388 0.67025 ] [ 0.120606 0 0.307274 ] [ 0.879394 0 0.692726 ] [ 0.832745 0.192612 0.32975 ] [ 0.167255 0.192612 0.67025 ] [ 0 0.70061 0 ] [ 0 0.29939 0 ] [ 0.332745 0.307388 0.32975 ] [ 0.667255 0.307388 0.67025 ] [ 0.620606 0.5 0.307274 ] [ 0.379394 0.5 0.692726 ] [ 0.332745 0.692612 0.32975 ] [ 0.667255 0.692612 0.67025 ] [ 0.5 0.20061 0 ] [ 0.5 0.79939 0 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.8654967 "source-unit" "angstrom" } "b" { "source-value" 6.92678512 "source-unit" "angstrom" } "c" { "source-value" 6.98413128 "source-unit" "angstrom" } "beta" { "source-value" 109.9453586 "source-unit" "degree" } }