{ "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" [ [ 0.999029 0.750223 0.99893 ] [ 0.999029 0.249777 0.99893 ] [ 0.500316 0.249379 0.500885 ] [ 0.500316 0.750621 0.500885 ] [ 0.027135 0.5 0.280245 ] [ 0.978262 0 0.719445 ] [ 0.521615 0 0.218784 ] [ 0.478081 0.5 0.780363 ] [ 0.915992 0.5 0.595416 ] [ 0.584665 0.5 0.094732 ] [ 0.416097 0 0.904697 ] [ 0.083954 0 0.405785 ] [ 0.793162 0.5 0.456175 ] [ 0.778573 0.705055 0.666479 ] [ 0.778573 0.294945 0.666479 ] [ 0.760918 0 0.401876 ] [ 0.738134 0 0.901688 ] [ 0.72058 0.706026 0.165358 ] [ 0.72058 0.293974 0.165358 ] [ 0.705232 0.5 0.954699 ] [ 0.294738 0 0.045022 ] [ 0.278026 0.204544 0.833662 ] [ 0.278026 0.795456 0.833662 ] [ 0.262896 0.5 0.097516 ] [ 0.23854 0.5 0.598362 ] [ 0.221734 0.203157 0.334403 ] [ 0.221734 0.796843 0.334403 ] [ 0.204058 0 0.545762 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Co" "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" 4.76369629 "source-unit" "angstrom" } "b" { "source-value" 6.00885897 "source-unit" "angstrom" } "c" { "source-value" 10.32723881 "source-unit" "angstrom" } "beta" { "source-value" 90.02165614 "source-unit" "degree" } }