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=118.90427041278615 stress="-8.26957362094899 0.6797323248303127 -1.336980756604028 0.6797323248303127 -8.314005235666304 -2.4690341834443936 -1.336980756604028 -2.4690341834443936 -9.98508725402147" free_energy=118.90427041278615 pbc="T T F" Sn -0.04105180 0.20259391 0.06504129 -26.52864630 -43.53334152 -112.11173838 Sn 1.06268422 1.36550211 0.22277084 5.02872544 2.20397395 -60.19726026 Sn 1.68584377 0.39359151 1.69581920 33.96144399 -14.03345497 74.87794986 Sn 0.13892139 1.76959405 1.67626233 -12.46152313 55.36282254 97.43104877