32 Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=494.84468648025285 stress="-0.3724787345103775 0.06829730709041913 -0.14080237455102046 0.06829730709041913 -0.20499354471046033 0.006956458286698659 -0.14080237455102046 0.006956458286698659 -0.06891217944642951" free_energy=494.84468648025285 pbc="F F F" Ne 10.43349313 10.44278957 10.76521076 -6.99578701 -5.63805575 -4.51877003 Ne 11.04305738 10.86701679 10.94522573 -59.62067561 143.92431993 -82.58261241 Ne 11.31739927 10.38513163 11.18842481 73.49166653 -140.55023865 64.11898849 Ne 10.58355722 10.80229837 11.48827865 -13.93858555 -0.04145893 16.95063611 Ne 12.28941125 10.56857434 10.57593621 -1097.26119279 -2765.91958850 -550.09481208 Ne 12.46289193 11.01488658 10.66331939 -6079.53232352 5431.43325683 -2077.67892520 Ne 12.86252029 10.86506657 10.80956985 7176.68587620 -2665.89850486 2627.48185443 Ne 12.26396943 11.51687688 11.53938949 150.95457674 -53.40286764 26.15527015 Ne 10.48954833 12.38610077 10.55645598 -201.17358842 -370.03179652 -357.27898854 Ne 11.37099404 12.82102493 10.77105212 25.57334979 3.50790584 -5.14977881 Ne 11.70396633 11.70988614 11.39926886 -149.10638164 51.09643731 -37.92029009 Ne 10.69132862 12.75737538 10.91498009 175.08652754 367.51573527 362.77495241 Ne 11.76070247 12.07437407 10.53495211 0.46800321 -0.91736997 -0.69311612 Ne 12.67841111 12.54178592 10.59402627 -2.51253690 14.57309450 -6.85554808 Ne 12.79618255 11.88793351 10.88175036 3.05487364 -14.13382743 6.17378388 Ne 12.25846085 12.93717283 11.38198907 -378.39954337 104.04148177 -108.07040009 Ne 10.56209017 10.24030578 12.46364130 -5.71282362 -0.72412059 -3.32003952 Ne 11.32827738 10.78761162 11.92460910 -3.36432505 2.87505792 5.22962723 Ne 11.23214718 10.29643183 12.84983976 7.46199237 -4.52865745 3.31024868 Ne 10.95371654 11.03198278 12.84163209 -1.91456818 5.19501572 0.14871064 Ne 11.97520105 10.53748595 11.56319624 10.49425125 -0.57693281 0.75638979 Ne 12.93661005 11.06182872 11.80706967 1.30450352 -1.22296438 0.02311290 Ne 12.89993528 10.39772559 12.68993969 -0.01775573 0.00181322 0.00452840 Ne 11.97128906 11.17152739 12.77369528 -0.13956167 -5.17107477 5.03157879 Ne 10.51717170 12.09911551 12.23258176 1.15254308 -20.00045736 -14.46312629 Ne 11.68382959 12.96889199 12.03024643 -0.91901147 0.10220620 0.69001695 Ne 11.46111697 11.94806347 12.72795765 -3.80828425 -0.41216525 2.04391280 Ne 10.48427397 12.66741946 12.64293764 -1.13358347 19.98552810 14.43049498 Ne 12.02277475 11.70067607 12.21489357 -0.25091040 6.46205171 4.27272211 Ne 12.78616483 12.79241124 11.53121780 379.23171283 -103.98231698 107.47513800 Ne 12.93480539 11.56234510 12.56524757 0.20461511 0.37678730 0.62291863 Ne 11.68922699 12.71966554 12.94993039 0.63694683 2.06170623 0.93152189