{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.25163 0 0.618828 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.998207 0 0.244424 ] [ 0.24837 0.5 0.381172 ] [ 0.001793 0 0.755576 ] [ 0.75163 0.5 0.618828 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.498207 0.5 0.244424 ] [ 0.74837 0 0.381172 ] [ 0.501793 0.5 0.755576 ] [ 0.757056 0.5 0.116755 ] [ 0.242944 0.5 0.883245 ] [ 0.257056 0 0.116755 ] [ 0.742944 0 0.883245 ] [ 0.127871 0 0.934623 ] [ 0.872129 0 0.065377 ] [ 0.627871 0.5 0.934623 ] [ 0.372129 0.5 0.065377 ] [ 0.126623 0 0.439377 ] [ 0.875785 0.5 0.318501 ] [ 0.870583 0.5 0.800641 ] [ 0.873377 0 0.560623 ] [ 0.124215 0.5 0.681499 ] [ 0.129417 0.5 0.199359 ] [ 0.626623 0.5 0.439377 ] [ 0.375785 0 0.318501 ] [ 0.370583 0 0.800641 ] [ 0.373377 0.5 0.560623 ] [ 0.624215 0 0.681499 ] [ 0.629417 0 0.199359 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "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" 9.70041079 "source-unit" "angstrom" } "b" { "source-value" 2.95726538 "source-unit" "angstrom" } "c" { "source-value" 10.11549783 "source-unit" "angstrom" } "beta" { "source-value" 100.30666396 "source-unit" "degree" } }