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=30805.844386207526 stress="-3376.272219060243 -459.6396652223332 1347.34312704099 -459.6396652223332 -4718.292970688166 -2678.8549998844046 1347.34312704099 -2678.8549998844046 -5880.126757387613" pbc="F F T" Cm 0.00056773 0.11039378 0.10452207 -17775.20981245 -90099.62433746 -83248.41619464 Cm 1.27848383 1.52670475 0.12581099 52607.73166572 23639.16384477 -42248.47001727 Cm 1.43259657 0.02442500 1.49401731 19109.97386857 -16100.15980313 7030.61158781 Cm 0.06424574 1.23113865 1.23704306 -53942.49572185 82560.62029582 118466.27462410