4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.989482 2.74037 0.7537924 1 0.5238862 4.134075 1.701981 1 2.155499 3.587274 3.303778 1 3.995828 2.956534 2.17043