{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.04907 0.260126 0.95415 ] [ 0.925199 0.298709 0.671637 ] [ 0.074801 0.798709 0.828363 ] [ 0.95093 0.760126 0.54585 ] [ 0.04907 0.239874 0.45415 ] [ 0.925199 0.201291 0.171637 ] [ 0.074801 0.701291 0.328363 ] [ 0.95093 0.739874 0.04585 ] [ 0.331353 0.678319 0.147334 ] [ 0.666375 0.868135 0.633578 ] [ 0.668647 0.178319 0.352666 ] [ 0.666375 0.631865 0.133578 ] [ 0.333625 0.368135 0.866422 ] [ 0.331353 0.821681 0.647334 ] [ 0.333625 0.131865 0.366422 ] [ 0.668647 0.321681 0.852666 ] [ 0.11894 0.74615 0.016528 ] [ 0.384044 0.169231 0.212953 ] [ 0.698697 0.347463 0.701865 ] [ 0.586032 0.118305 0.464908 ] [ 0.413968 0.618305 0.035092 ] [ 0.874378 0.806921 0.663411 ] [ 0.615956 0.669231 0.287047 ] [ 0.88106 0.24615 0.483472 ] [ 0.125622 0.306921 0.836589 ] [ 0.698697 0.152537 0.201865 ] [ 0.301303 0.847463 0.798135 ] [ 0.874378 0.693079 0.163411 ] [ 0.11894 0.75385 0.516528 ] [ 0.384044 0.330769 0.712953 ] [ 0.125622 0.193079 0.336589 ] [ 0.586032 0.381695 0.964908 ] [ 0.413968 0.881695 0.535092 ] [ 0.301303 0.652537 0.298135 ] [ 0.615956 0.830769 0.787047 ] [ 0.88106 0.25385 0.983472 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "O" "O" "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" 10.2648079 "source-unit" "angstrom" } "b" { "source-value" 3.89635718 "source-unit" "angstrom" } "c" { "source-value" 12.94654192 "source-unit" "angstrom" } "beta" { "source-value" 122.72725168 "source-unit" "degree" } }