{ "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 ] [ 0.75 0.25 0 ] [ 0.747728 0 0.489234 ] [ 0.752272 0.5 0.510766 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.247728 0.5 0.489234 ] [ 0.252272 0 0.510766 ] [ 0 0 0 ] [ 0 0.747912 0.5 ] [ 0.5 0.752088 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.247912 0.5 ] [ 0 0.252088 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.61115 0.244673 0.237653 ] [ 0.61115 0.755327 0.237653 ] [ 0.611342 0 0.747915 ] [ 0.887274 0 0.259294 ] [ 0.888658 0.5 0.252085 ] [ 0.88885 0.744673 0.762347 ] [ 0.612726 0.5 0.740706 ] [ 0.88885 0.255327 0.762347 ] [ 0.11115 0.744673 0.237653 ] [ 0.11115 0.255327 0.237653 ] [ 0.111342 0.5 0.747915 ] [ 0.387274 0.5 0.259294 ] [ 0.388658 0 0.252085 ] [ 0.38885 0.244673 0.762347 ] [ 0.112726 0 0.740706 ] [ 0.38885 0.755327 0.762347 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Co" "Co" "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" 10.23110137 "source-unit" "angstrom" } "b" { "source-value" 5.8628577 "source-unit" "angstrom" } "c" { "source-value" 5.072836 "source-unit" "angstrom" } "beta" { "source-value" 109.29523094 "source-unit" "degree" } }