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=-19.57694769926234 stress="0.19668664236201241 0.03883610578139724 -0.38439835083107327 0.03883610578139724 -0.2828559612015667 -0.27065741756739264 -0.38439835083107327 -0.27065741756739264 -0.23898234903014223" pbc="F F T" C 0.29874826 0.05835534 -0.25354363 1.14162803 -4.90184724 -7.49826151 C 1.48193431 1.27500758 0.20070203 -3.63706336 1.46523671 7.08157994 C 1.20342959 0.28187239 1.51001192 -0.46789984 -1.91067828 1.88978954 C 0.10170120 1.23306216 1.21904386 2.96333517 5.34728880 -1.47310798