{ "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 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.539639 0.25 0.218125 ] [ 0.460361 0.75 0.781875 ] [ 0.020282 0.75 0.280329 ] [ 0.979718 0.25 0.719671 ] [ 0.580281 0.75 0.092042 ] [ 0.084075 0.25 0.404712 ] [ 0.915925 0.75 0.595288 ] [ 0.419719 0.25 0.907958 ] [ 0.302487 0.25 0.048633 ] [ 0.258912 0.75 0.094253 ] [ 0.722028 0.947948 0.162597 ] [ 0.722028 0.552052 0.162597 ] [ 0.210833 0.454673 0.336034 ] [ 0.210833 0.045327 0.336034 ] [ 0.7592 0.25 0.39856 ] [ 0.795465 0.75 0.453946 ] [ 0.204535 0.25 0.546054 ] [ 0.2408 0.75 0.60144 ] [ 0.789167 0.954673 0.663966 ] [ 0.789167 0.545327 0.663966 ] [ 0.277972 0.447948 0.837403 ] [ 0.277972 0.052052 0.837403 ] [ 0.741088 0.25 0.905747 ] [ 0.697513 0.75 0.951367 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Co" "Co" "P" "P" "P" "P" "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" 4.77670319 "source-unit" "angstrom" } "b" { "source-value" 6.15050735 "source-unit" "angstrom" } "c" { "source-value" 10.29513338 "source-unit" "angstrom" } "beta" { "source-value" 91.35232563 "source-unit" "degree" } }