16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=121.03532457067111 stress="-0.024325706829540918 -0.012984054486992825 -0.0018411395991135293 -0.012984054486992825 -0.02043407646837164 -0.0034867461190311814 -0.0018411395991135293 -0.0034867461190311814 -0.022409782822662934" pbc="F F F" Tc 20.96128888 21.22711308 21.00807702 -11.02128356 -7.98703138 -10.67824109 Tc 22.57859987 22.56924653 22.60051876 -316.95170394 -464.98160046 171.25971672 Tc 24.05840398 21.08572870 20.96927997 -213.17500498 -189.08702724 -214.09753534 Tc 25.54902443 22.20231081 22.24626727 328.09802142 236.56181187 106.10185304 Tc 21.07161866 24.40496212 21.19114382 -179.86439288 -122.52170999 -155.49972224 Tc 22.61908646 25.66209616 22.35085063 114.59983381 212.08596431 165.62378638 Tc 23.72838848 23.79639657 21.20190185 297.74951538 235.75948358 -422.21797929 Tc 25.48036045 25.63909376 22.00411760 14.39503401 10.45895703 9.75067759 Tc 21.07822168 20.76832373 24.46647476 -37.50604911 -40.62909739 -34.97074435 Tc 22.62575746 22.42529079 25.52740652 24.19301315 35.11788480 47.97562518 Tc 24.23931746 20.86731899 23.71879824 -78.47773439 -112.91380701 99.98067182 Tc 25.42018519 22.19838875 25.71566587 13.81822503 12.05817833 12.16731193 Tc 20.83475439 23.73404124 23.72274549 -110.87013076 68.76177165 98.75256649 Tc 22.50630936 25.71373574 25.53688001 -13.23681307 -4.47384326 -5.95460799 Tc 24.02285830 23.88960902 23.84494599 116.17192313 88.49165294 78.75348605 Tc 25.21011756 25.30270476 25.48265103 52.07754676 43.29841221 53.05313511