2 Lattice="3.752041479122649 -4.2899966850231536e-19 0.0 -1.8760207395613244 3.2493632369731538 0.0 -4.613909104801747e-19 0.0 16.455672334781564" Properties=species:S:1:pos:R:3:forces:R:3 energy=-8.814169827017123 stress="0.00012276863159340633 0.0 -2.0738928074678843e-19 0.0 0.00012276863159340655 -2.0738928074678843e-19 -2.0738928074678843e-19 -2.0738928074678843e-19 0.00013795752863273158" dipole="1.3658650380671096 -0.7885825474047484 0.0760839857039627" free_energy=-8.814169827045575 pbc="T T F" Sn 1.87602074 1.08312108 8.95788534 0.00000000 0.00000000 -0.01456084 S -0.00000000 2.16624216 7.49803818 0.00000000 0.00000000 0.00928548