{ "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 0.807373 0.5 ] [ 0.5 0 0.5 ] [ 0 0.192627 0.5 ] [ 0.5 0.307373 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.692627 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.165929 0 ] [ 0.5 0.834071 0 ] [ 0 0.665929 0 ] [ 0 0.334071 0 ] [ 0.295208 0 0.764017 ] [ 0.258718 0.181805 0.229237 ] [ 0.258718 0.818195 0.229237 ] [ 0.741282 0.818195 0.770763 ] [ 0.741282 0.181805 0.770763 ] [ 0.704792 0 0.235983 ] [ 0.795208 0.5 0.764017 ] [ 0.758718 0.681805 0.229237 ] [ 0.758718 0.318195 0.229237 ] [ 0.241282 0.318195 0.770763 ] [ 0.241282 0.681805 0.770763 ] [ 0.204792 0.5 0.235983 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Y" "Y" "Ni" "Ni" "Ni" "Ni" "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" 5.23119122 "source-unit" "angstrom" } "b" { "source-value" 9.20265934 "source-unit" "angstrom" } "c" { "source-value" 5.21412198 "source-unit" "angstrom" } "beta" { "source-value" 107.44915158 "source-unit" "degree" } }