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=9204.53568746946 stress="-24915.270505651453 -2116.9694360915405 2315.106737471722 -2116.9694360915405 -39717.70368053409 -7067.900519591756 2315.106737471722 -7067.900519591756 -48742.42592836718" pbc="F F F" Pa -0.27744070 0.14217002 0.01140844 -6567.45189415 -16471.76770420 -18148.75184794 Pa 1.47039285 1.58029288 0.14622330 8381.57263656 13943.74053398 -13658.93531882 Pa 1.73937201 0.00190319 1.53647120 5568.97168305 -11975.21234619 9224.44426710 Pa -0.14661528 1.38224928 1.62835943 -7383.09242547 14503.23951640 22583.24289967