{ "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" [ [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0.5 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.002663 0.223262 0.257144 ] [ 0.002663 0.776738 0.257144 ] [ 0.781591 0 0.266162 ] [ 0.755927 0.5 0.229685 ] [ 0.244073 0.5 0.770315 ] [ 0.218409 0 0.733838 ] [ 0.997337 0.223262 0.742856 ] [ 0.997337 0.776738 0.742856 ] [ 0.502663 0.723262 0.257144 ] [ 0.502663 0.276738 0.257144 ] [ 0.281591 0.5 0.266162 ] [ 0.255927 0 0.229685 ] [ 0.744073 0 0.770315 ] [ 0.718409 0.5 0.733838 ] [ 0.497337 0.723262 0.742856 ] [ 0.497337 0.276738 0.742856 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 10.69653262 "source-unit" "angstrom" } "b" { "source-value" 5.81713193 "source-unit" "angstrom" } "c" { "source-value" 5.78498878 "source-unit" "angstrom" } "beta" { "source-value" 122.95483681 "source-unit" "degree" } }