{ "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" [ [ 0.825797 0.5 0.125102 ] [ 0.806257 0.5 0.69768 ] [ 0.193743 0.5 0.30232 ] [ 0.174203 0.5 0.874898 ] [ 0 0 0.5 ] [ 0.325797 0 0.125102 ] [ 0.306257 0 0.69768 ] [ 0.693743 0 0.30232 ] [ 0.674203 0 0.874898 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.862098 0 0.176695 ] [ 0.137902 0 0.823305 ] [ 0 0.5 0 ] [ 0.362098 0.5 0.176695 ] [ 0.637902 0.5 0.823305 ] [ 0.5 0 0 ] [ 0.822744 0 0.654437 ] [ 0.177256 0 0.345563 ] [ 0.322744 0.5 0.654437 ] [ 0.677256 0.5 0.345563 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "F" "F" "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" 9.36736923 "source-unit" "angstrom" } "b" { "source-value" 3.92971345 "source-unit" "angstrom" } "c" { "source-value" 5.86265625 "source-unit" "angstrom" } "beta" { "source-value" 108.86647771 "source-unit" "degree" } }