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=13.5340685648 stress="-5.6397579504668585 0.41273394106938793 0.07304790616416963 0.41273394106938793 -4.231580848356984 0.09644274663747437 0.07304790616416963 0.09644274663747437 -5.849817256330472" pbc="F F F" F -0.28678287 0.21736445 -0.21395222 -6.96678849 -6.01511768 -6.66286178 F 1.70384132 1.29224623 -0.26785036 6.96753584 6.02784153 -9.30177460 F 1.50041025 0.25551247 1.35444624 7.09247355 -9.14380737 9.11437105 F -0.00811119 1.56482696 1.34620060 -7.09322090 9.13108353 6.85026533