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=-1.3959705825799198 stress="0.10267682807845986 0.00023620756309464356 0.005241744642556951 0.00023620756309464356 0.11208341673667922 -0.019244904821169345 0.005241744642556951 -0.019244904821169345 0.10394396254019021" pbc="T T T" user07 0.08168814 0.10184609 -0.28890123 -0.20698640 0.71187584 -0.83592096 user07 1.65335041 1.40749640 0.24096025 0.17493318 -0.21283303 -0.01909260 user07 1.62789178 0.03037808 1.65040923 0.24001999 0.30649082 0.26248242 user07 -0.05321945 1.29235135 1.73656502 -0.20796677 -0.80553363 0.59253114