20 20 20 1 1 1  9.999999776482582E-003   0.00000000000000        0.00000000000000        3.61174656697014       4.210919092647956E-003   620.231951625506
30 30 30 1 1 1                                                                           3.61227272356463


4 4 4 1 1 1 with 40 Ry (!!!) : 3.78229