32 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=47087.39502619939 stress="-2.5403489361555653 0.2665662266007196 0.02886443800777383 0.2665662266007196 -2.7222296090415443 0.13664389686185652 0.02886443800777383 0.13664389686185652 -2.6065380090174304" free_energy=47087.39502619939 pbc="F F F" Es 21.23820177 20.84890902 21.03495574 -513.57683239 -444.56074753 -988.95513144 Es 22.89917226 22.67581682 20.98990133 -5672.32541706 -6435.45773613 -1898.54164629 Es 22.35570164 21.02747834 22.76192692 4111.60684329 -8748.23472295 -12051.74434154 Es 20.91894568 22.66769344 22.25625890 -3847.11786321 -4605.87343796 2415.52311864 Es 24.21198104 20.77240031 21.24021562 -9752.77682779 -3300.99428738 -9000.87128534 Es 25.37963221 22.76948822 20.91546513 30274.02684681 -26580.29251271 -11315.73345377 Es 25.53046999 21.00694548 22.28206225 15511.81500655 -3870.16181627 6197.17660936 Es 24.26165828 22.17733925 22.62334761 -7009.68302934 4227.51185022 2573.28880987 Es 21.33009999 23.86512680 20.95599437 -1974.90301681 2676.16182078 -4784.79143733 Es 22.59866197 25.29955813 21.20961385 818.10884658 1819.94403283 -1554.09316490 Es 22.22736135 23.91035576 22.88645530 13220.91381985 -1117.72187369 -11859.65328831 Es 21.03753927 25.33880708 22.71828358 -3124.17309690 8235.96176658 -6524.75174400 Es 24.23372448 23.76519551 21.24419702 -39085.46645658 30083.89002539 -11203.31380588 Es 25.53788955 25.65764082 21.11990855 210.68445534 364.70678697 -201.48973944 Es 25.23797177 23.85033787 22.49216147 17454.40014087 4464.23210694 21868.21975459 Es 23.70926048 25.74711049 22.79890198 1568.02582619 1769.01902517 -869.17878481 Es 21.37322078 20.84981539 24.24563286 -7510.46964992 -6975.09749852 5570.04533684 Es 22.25965934 22.34093600 23.84652919 3038.96316004 10492.02971788 6044.87939428 Es 22.69779826 21.06078392 25.76942523 -8012.25376120 -8835.53459545 6973.20089063 Es 20.93533898 22.66682655 25.24358210 -1913.51896162 -881.40200625 2924.30511940 Es 23.93978507 20.87024753 24.23567729 2447.21725440 -14502.72533860 -9803.09630771 Es 25.63842856 22.39786986 24.08933871 1818.11041624 765.97232231 -1868.47399396 Es 25.43652740 21.22498157 25.57975710 1519.21028203 -2091.99204155 3081.92972381 Es 23.73737112 22.24753820 25.14992455 5813.93756588 22368.91652405 5453.02777250 Es 21.06310271 24.20753235 24.05640010 -14431.19933474 -4804.78676787 12190.97564055 Es 22.50124003 25.34569678 24.32248937 -9561.84285775 39728.22331219 -36070.36370378 Es 22.43322875 24.30997542 25.46908105 -4305.04874728 -32831.08573838 35732.46399379 Es 21.04745347 25.61320663 25.39776584 -5847.37511977 4131.63058849 4167.67948260 Es 23.74831061 24.25431947 24.18635441 14762.91441579 -12802.82267184 -3905.89996632 Es 25.42158874 25.32199368 24.18260093 1370.78844306 4036.98863237 -2372.26096456 Es 25.60538845 23.92800653 25.38334146 719.30897966 -2014.77179909 3735.21964001 Es 23.64895030 25.69594303 25.59944515 7901.69866975 5678.32707997 7345.27747251