{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.053877 0.25 ] [ 0 0.946123 0.75 ] [ 0.5 0.553877 0.25 ] [ 0.5 0.446123 0.75 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0 ] [ 0.910345 0.845284 0.024735 ] [ 0.910345 0.154716 0.524735 ] [ 0.218122 0.442671 0.299907 ] [ 0.781878 0.442671 0.200093 ] [ 0.218122 0.557329 0.799907 ] [ 0.781878 0.557329 0.700093 ] [ 0.089655 0.845284 0.475265 ] [ 0.089655 0.154716 0.975265 ] [ 0.410345 0.345284 0.024735 ] [ 0.410345 0.654716 0.524735 ] [ 0.718122 0.942671 0.299907 ] [ 0.281878 0.942671 0.200093 ] [ 0.718122 0.057329 0.799907 ] [ 0.281878 0.057329 0.700093 ] [ 0.589655 0.345284 0.475265 ] [ 0.589655 0.654716 0.975265 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 11.65817521 "source-unit" "angstrom" } "b" { "source-value" 5.20015796 "source-unit" "angstrom" } "c" { "source-value" 5.41473784 "source-unit" "angstrom" } "beta" { "source-value" 91.91541298 "source-unit" "degree" } }