{ "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" [ [ 0.815909 0.5 0.135476 ] [ 0.79874 0.5 0.668504 ] [ 0.20126 0.5 0.331496 ] [ 0.184091 0.5 0.864524 ] [ 0 0 0.5 ] [ 0.315909 0 0.135476 ] [ 0.29874 0 0.668504 ] [ 0.70126 0 0.331496 ] [ 0.684091 0 0.864524 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.857716 0 0.172763 ] [ 0 0.5 0 ] [ 0.845666 0 0.686715 ] [ 0.154334 0 0.313285 ] [ 0.142284 0 0.827237 ] [ 0.357716 0.5 0.172763 ] [ 0.5 0 0 ] [ 0.345666 0.5 0.686715 ] [ 0.654334 0.5 0.313285 ] [ 0.642284 0.5 0.827237 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "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" 9.51695739 "source-unit" "angstrom" } "b" { "source-value" 3.92354496 "source-unit" "angstrom" } "c" { "source-value" 5.78243193 "source-unit" "angstrom" } "beta" { "source-value" 108.87116816 "source-unit" "degree" } }