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=88.90921036432223 pbc="T F T" Br 0.23048657 -0.20236369 0.00545761 35 -189.10211440 -152.40138790 -128.22320835 Br 1.40608312 1.46433038 -0.01483813 35 103.63113369 152.27056109 -128.48074018 Br 1.38288323 0.14354978 1.43939351 35 380.44030619 -314.64047089 143.46870046 Br 0.00976160 1.28960624 1.29598339 35 -294.96932548 314.77129770 113.23524808