{ "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" [ [ 0.924933 0.5 0.788502 ] [ 0.219671 0.5 0.642741 ] [ 0.280329 0 0.357259 ] [ 0.075067 0.5 0.211498 ] [ 0.424933 0 0.788502 ] [ 0.719671 0 0.642741 ] [ 0.780329 0.5 0.357259 ] [ 0.575067 0 0.211498 ] [ 0.143014 0 0.925861 ] [ 0 0 0.5 ] [ 0.356986 0.5 0.074139 ] [ 0.643014 0.5 0.925861 ] [ 0.5 0.5 0.5 ] [ 0.856986 0 0.074139 ] [ 0.192856 0 0.635885 ] [ 0.157782 0.5 0.939246 ] [ 0.944387 0 0.782807 ] [ 0.307144 0.5 0.364115 ] [ 0.342218 0 0.060754 ] [ 0.055613 0 0.217193 ] [ 0.692856 0.5 0.635885 ] [ 0.657782 0 0.939246 ] [ 0.444387 0.5 0.782807 ] [ 0.807144 0 0.364115 ] [ 0.842218 0.5 0.060754 ] [ 0.555613 0.5 0.217193 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.21869758 "source-unit" "angstrom" } "b" { "source-value" 4.14074523 "source-unit" "angstrom" } "c" { "source-value" 6.37425741 "source-unit" "angstrom" } "beta" { "source-value" 98.34564411 "source-unit" "degree" } }