{ "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" [ [ 0.249684 0.75 0.120213 ] [ 0.774657 0.016969 0.241782 ] [ 0.774657 0.483031 0.241782 ] [ 0.225343 0.516969 0.758218 ] [ 0.225343 0.983031 0.758218 ] [ 0.750316 0.25 0.879787 ] [ 0.224701 0.25 0.36367 ] [ 0.775299 0.75 0.63633 ] [ 0.268384 0.75 0.426955 ] [ 0.731616 0.25 0.573045 ] [ 0.252938 0.25 0.052744 ] [ 0.747062 0.75 0.947256 ] [ 0.98679 0.25 0.071131 ] [ 0.649354 0.75 0.092845 ] [ 0.423546 0.25 0.181655 ] [ 0.184939 0.945282 0.318335 ] [ 0.184939 0.554718 0.318335 ] [ 0.589913 0.75 0.465792 ] [ 0.875255 0.25 0.407739 ] [ 0.124745 0.75 0.592261 ] [ 0.410087 0.25 0.534208 ] [ 0.815061 0.445282 0.681665 ] [ 0.815061 0.054718 0.681665 ] [ 0.576454 0.75 0.818345 ] [ 0.350646 0.25 0.907155 ] [ 0.01321 0.75 0.928869 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Be" "Be" "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" 4.78289976 "source-unit" "angstrom" } "b" { "source-value" 6.21803268 "source-unit" "angstrom" } "c" { "source-value" 8.22117411 "source-unit" "angstrom" } "beta" { "source-value" 92.78964623 "source-unit" "degree" } }