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=362031.695016933 stress="-55438.359860647455 25913.966161753313 -22500.711008036524 25913.966161753313 -48893.00644481027 -4238.463171623419 -22500.711008036524 -4238.463171623419 -57044.08642371058" pbc="T F F" Fr 0.26510069 0.10347796 0.04686304 -210652.87146044 -361524.92619625 -752376.63457491 Fr 1.61940242 1.75017094 0.09492888 -115136.19057617 187779.33487184 -271763.13247328 Fr 1.20615416 0.04303075 1.66869123 702041.96958851 -609924.87036690 545485.34895109 Fr -0.03847666 1.34638305 1.44363137 -376252.90755190 783670.46169130 478654.41809711