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=31.520819250483044 pbc="T F T" Hg 0.26287627 -0.00709614 0.25397255 80 -18.13399899 -17.53083402 -19.96335801 Hg 1.21829477 1.70655342 0.12299873 80 150.63601582 16.65585117 -146.33263816 Hg 1.54117202 0.03968405 1.55825419 80 16.07734310 -2.56833372 15.48538877 Hg 0.11873360 1.64419639 1.20812844 80 -148.57935993 3.44331657 150.81060740