4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=31473.754700351274 pbc="T T F"
Mo      -0.27553709      -0.23837521       0.17127009       42   35778.26110008   34300.90958647  -28211.79380383 
Mo       1.50586983       1.61253407       0.39447604       42  -34456.13966638  -43577.95396853  -18662.22227303 
Mo       1.78169637      -0.26452205       1.72452036       42  -98692.41855145   98734.48205134   33123.66560411 
Mo      -0.04805994       1.71674821       1.71104394       42   97370.29711775  -89457.43766928   13750.35047275