16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=121.03532457067169 stress="-1802.2429675870305 -961.9626288323286 -136.40635061912678 -961.9626288323286 -1513.9198573887206 -258.32604646678067 -136.40635061912678 -258.32604646678067 -1660.2959897654557" pbc="F F F" Tc -0.03871112 0.22711308 0.00807702 -11.02128356 -7.98703138 -10.67824109 Tc 1.57859987 1.56924653 1.60051876 -316.95170394 -464.98160046 171.25971672 Tc 3.05840398 0.08572870 -0.03072003 -213.17500498 -189.08702724 -214.09753534 Tc 4.54902443 1.20231081 1.24626727 328.09802142 236.56181187 106.10185304 Tc 0.07161866 3.40496212 0.19114382 -179.86439288 -122.52170999 -155.49972224 Tc 1.61908646 4.66209616 1.35085063 114.59983381 212.08596431 165.62378638 Tc 2.72838848 2.79639657 0.20190185 297.74951538 235.75948358 -422.21797929 Tc 4.48036045 4.63909376 1.00411760 14.39503401 10.45895703 9.75067759 Tc 0.07822168 -0.23167627 3.46647476 -37.50604911 -40.62909739 -34.97074435 Tc 1.62575746 1.42529079 4.52740652 24.19301315 35.11788480 47.97562518 Tc 3.23931746 -0.13268101 2.71879824 -78.47773439 -112.91380701 99.98067182 Tc 4.42018519 1.19838875 4.71566587 13.81822503 12.05817833 12.16731193 Tc -0.16524561 2.73404124 2.72274549 -110.87013076 68.76177165 98.75256649 Tc 1.50630936 4.71373574 4.53688001 -13.23681307 -4.47384326 -5.95460799 Tc 3.02285830 2.88960902 2.84494599 116.17192313 88.49165294 78.75348605 Tc 4.21011756 4.30270476 4.48265103 52.07754676 43.29841221 53.05313511