{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.176972 0.116446 0.066072 ] [ 0.823028 0.616446 0.933928 ] [ 0.741243 0.490269 0.297765 ] [ 0.740848 0.019662 0.286543 ] [ 0.258757 0.990269 0.702235 ] [ 0.259152 0.519662 0.713457 ] [ 0.221593 0.754356 0.331795 ] [ 0.778407 0.254356 0.668205 ] [ 0.264285 0.259552 0.404493 ] [ 0.735715 0.759552 0.595507 ] [ 0.643585 0.213077 0.96037 ] [ 0.356415 0.713077 0.03963 ] [ 0.113927 0.779742 0.057495 ] [ 0.529019 0.698845 0.165197 ] [ 0.576976 0.166255 0.095186 ] [ 0.161811 0.067054 0.305292 ] [ 0.143342 0.446839 0.308913 ] [ 0.82937 0.756997 0.431174 ] [ 0.579543 0.26287 0.425263 ] [ 0.420457 0.76287 0.574737 ] [ 0.17063 0.256997 0.568826 ] [ 0.838189 0.567054 0.694708 ] [ 0.856658 0.946839 0.691087 ] [ 0.423024 0.666255 0.904814 ] [ 0.470981 0.198845 0.834803 ] [ 0.886073 0.279742 0.942505 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "C" "C" "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" 5.0152227 "source-unit" "angstrom" } "b" { "source-value" 6.4809496 "source-unit" "angstrom" } "c" { "source-value" 8.61728322 "source-unit" "angstrom" } "beta" { "source-value" 97.04777497 "source-unit" "degree" } }