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:forces:R:3 energy=0.8950558544575158 stress="-5.869726062596481 0.17715514587663667 -0.6736670079657445 0.17715514587663667 -6.349040697087984 -2.1483032736546304 -0.6736670079657445 -2.1483032736546304 -7.144025758251908" pbc="F F F" Cn 0.16486608 0.01285316 -0.02802233 -1.88229453 -3.24184506 -4.36093172 Cn 1.40269834 1.70335765 0.08541092 1.32943030 1.84687664 -1.30296566 Cn 1.67397651 -0.00617380 1.20720749 2.35010775 -1.02719361 2.34438815 Cn -0.21212358 1.33701852 1.29625995 -1.79724353 2.42216203 3.31950923