{ "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" [ [ 0.78247 0.500853 0.2339 ] [ 0.78247 0.999147 0.2339 ] [ 0.21753 0.499147 0.7661 ] [ 0.21753 0.000853 0.7661 ] [ 0.200638 0.25 0.342127 ] [ 0.799362 0.75 0.657873 ] [ 0.289031 0.75 0.426038 ] [ 0.710969 0.25 0.573962 ] [ 0.270286 0.25 0.058868 ] [ 0.729714 0.75 0.941132 ] [ 0.699918 0.75 0.085908 ] [ 0.035257 0.25 0.120878 ] [ 0.468712 0.25 0.166808 ] [ 0.185634 0.952649 0.321336 ] [ 0.185634 0.547351 0.321336 ] [ 0.837137 0.25 0.399506 ] [ 0.617866 0.75 0.456723 ] [ 0.382134 0.25 0.543277 ] [ 0.162863 0.75 0.600494 ] [ 0.814366 0.452649 0.678664 ] [ 0.814366 0.047351 0.678664 ] [ 0.531288 0.75 0.833192 ] [ 0.964743 0.75 0.879122 ] [ 0.300082 0.25 0.914092 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Si" "Si" "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" 5.00718998 "source-unit" "angstrom" } "b" { "source-value" 6.31612766 "source-unit" "angstrom" } "c" { "source-value" 8.53499381 "source-unit" "angstrom" } "beta" { "source-value" 92.99308907 "source-unit" "degree" } }