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=84.5638894364447 stress="-11.012078494118466 -0.6899565339885114 -3.8951285176221835 -0.6899565339885114 -9.549937886570147 0.994003078740876 -3.8951285176221835 0.994003078740876 -11.32908570753384" pbc="F T T" Re 0.28095696 -0.13608593 0.26008946 -202.79310300 -41.22678167 -174.16900580 Re 1.37675974 1.11532290 0.28460712 99.45028118 72.16971766 -70.37597743 W 1.25346517 -0.15972173 1.27715687 180.77295670 -57.70538847 195.59471273 W 0.11893942 1.24086170 1.33885520 -77.43013489 26.76245248 48.95027050