{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.723994 0.5 0.68807 ] [ 0.989494 0 0.288162 ] [ 0.292789 0.5 0.021207 ] [ 0.296592 0 0.024275 ] [ 0.640045 0.751327 0.98909 ] [ 0.640045 0.248673 0.98909 ] [ 0.364117 0.248539 0.38245 ] [ 0.364117 0.751461 0.38245 ] [ 0.004621 0.748582 0.630075 ] [ 0.004621 0.251418 0.630075 ] [ 0.326167 0 0.673013 ] [ 0.334716 0.5 0.672295 ] [ 0.000309 0.749009 0.994088 ] [ 0.000309 0.250991 0.994088 ] [ 0.665206 0 0.330127 ] [ 0.666331 0.5 0.331392 ] [ 0.900322 0.266729 0.804753 ] [ 0.900322 0.733271 0.804753 ] [ 0.537753 0.5 0.797242 ] [ 0.524198 0 0.795236 ] [ 0.855561 0.5 0.451912 ] [ 0.858346 0 0.441158 ] [ 0.900514 0.764236 0.095089 ] [ 0.900514 0.235764 0.095089 ] [ 0.541105 0.5 0.397239 ] [ 0.537419 0 0.389866 ] [ 0.210293 0 0.750774 ] [ 0.220463 0.5 0.751342 ] [ 0.255747 0 0.481316 ] [ 0.270597 0.5 0.4851 ] [ 0.592562 0.5 0.133262 ] [ 0.592964 0 0.131337 ] [ 0.19533 0.751632 0.095859 ] [ 0.19533 0.248368 0.095859 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "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" 8.16184047 "source-unit" "angstrom" } "b" { "source-value" 6.11816753 "source-unit" "angstrom" } "c" { "source-value" 8.21393474 "source-unit" "angstrom" } "beta" { "source-value" 119.74731783 "source-unit" "degree" } }