64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=302.0718954871342 stress="-0.00308127070010521 -0.000136979287424155 0.00023408820383379573 -0.000136979287424155 -0.002832626600373971 9.579266210470602e-07 0.00023408820383379573 9.579266210470602e-07 -0.00305198439684174" free_energy=302.0718954871342 pbc="F F F" Si 35.37633463 34.88110533 35.31471928 -11.25527578 -11.99091483 -3.63517410 Si 36.46952095 36.32189943 35.68112002 -34.51723005 -13.91806695 11.89734094 Si 37.99838740 37.23927614 35.45239820 41.03216524 21.95482025 -10.86371802 Si 38.58825563 39.11764500 36.66265278 37.19485512 -18.41557242 -70.67340649 Si 38.14498315 35.04142058 37.07173327 1.35060865 -3.09604343 -8.16925165 Si 38.83212431 35.91289112 39.06405160 -79.00627608 63.47703667 -149.10959955 Si 35.28435500 37.98616346 37.44771670 -13.27487929 -14.08442203 -21.66504353 Si 36.16051063 38.81418477 38.99971651 10.80262662 11.51472998 20.03258769 Si 39.54756273 34.93609784 34.67278473 0.20346937 0.42685781 2.29066531 Si 41.07461244 36.04989673 36.71826160 -29.21488102 42.03626609 -14.54356373 Si 41.88727658 37.99666045 34.91948616 -2.49051544 -2.35382469 0.56571820 Si 43.45384109 39.44382930 36.22737277 41.95667847 -34.90026233 -38.79274482 Si 42.11287416 34.62859478 37.24419872 23.18759953 -38.15817854 8.76842622 Si 43.27934600 36.09123122 38.54540346 2.75619145 4.49012656 3.70007288 Si 39.51567701 37.69823237 37.04928231 42.28590793 -56.48546483 17.13905493 Si 40.98142533 38.81544699 39.13350073 0.33938825 0.92284800 -4.97611854 Si 34.83481159 39.84867903 34.94099787 -2.46951841 -1.18658705 -0.07082074 Si 36.54714913 41.60304818 35.90503041 -31.09027074 -65.80035399 53.86951174 Si 37.05403308 42.62092295 35.01882052 27.19816166 67.01553102 -61.36588793 Si 38.79431516 43.60936308 36.14608925 1.04163724 4.38485667 1.75835275 Si 37.70609579 39.92647898 37.42162521 -75.97236656 64.15916170 55.47419936 Si 38.49469792 41.03156831 38.82895218 -34.67472987 29.94407606 -41.50476817 Si 35.06637865 42.57633354 37.39842425 -11.87189560 -3.86989043 -11.43668100 Si 36.21127379 43.34696809 38.90199409 8.63359641 6.97749150 11.37408654 Si 39.66068129 40.35760404 35.27404810 -9.88397197 -13.96635859 -11.33628055 Si 41.00439459 41.55820902 35.96963622 45.55893258 -40.89932716 -72.53857221 Si 42.30539633 42.05448643 34.94151616 23.04832114 10.94293743 -23.81513492 Si 43.60560318 43.56122166 36.26793754 1.11996261 1.67008107 1.21625603 Si 42.42010011 40.20988817 37.23334514 -58.54907587 10.40543204 20.16714945 Si 43.58168652 41.11354409 38.25203356 20.79235985 20.30029818 22.26680987 Si 40.38688112 42.08824509 37.10112862 -55.69715794 48.41584381 102.05998032 Si 41.28298454 43.83253865 38.91727319 1.60911642 0.97585289 0.58901846 Si 34.88538448 34.67718666 39.80800236 0.32865398 0.75359701 -0.34218220 Si 36.37231050 35.49434032 41.18247499 -18.33362159 7.29283937 -15.83158909 Si 37.90565462 37.01927222 39.86230136 -35.16622440 42.43671134 27.99898560 Si 39.00156541 38.99673192 40.85694090 -17.87496811 -68.55047526 33.63841403 Si 37.82228926 34.98598527 42.37107313 18.94280763 -10.06988097 16.83180142 Si 39.19332522 36.48944751 43.84929664 -27.26900307 -19.07695407 42.69308412 Si 35.46195460 37.26293791 42.19005183 -5.15375156 2.50865906 -0.21677250 Si 36.94618024 38.81153473 43.19708935 -56.58880609 -57.25320446 60.61192249 Si 39.52038785 35.28966064 39.84018430 112.98760612 -102.27857845 125.85907886 Si 41.17903594 36.03753670 41.30534914 -13.61054464 4.46037526 -23.71956445 Si 42.40095341 37.83401109 40.48488571 -44.32547138 -47.56669891 -34.61359224 Si 43.41781172 38.89786730 41.30956415 47.74024911 42.37032073 33.18029314 Si 42.70068320 35.64930953 42.39847048 24.02899149 -12.39793665 15.19873291 Si 43.96110739 36.85550743 43.77456671 -0.80768036 2.81091676 0.79826885 Si 40.05517182 37.18842517 42.45763984 19.11793854 29.53673976 -35.23733257 Si 41.64248843 38.58862213 43.99415199 -2.14600202 -9.19557442 2.79907335 Si 34.93024703 40.11363075 40.59795382 -1.10992692 -5.62969971 -5.81502665 Si 36.20895876 41.59838244 41.28364801 11.04335847 -19.68601935 -21.98166292 Si 37.77109014 42.52657536 40.51800618 -34.16891192 -71.58291982 -54.54723397 Si 38.30695144 43.65284988 41.20828020 33.82050628 86.23822513 41.20010437 Si 37.80900722 39.63831051 42.42293429 51.20597278 55.99006574 -49.27406370 Si 38.37218023 41.44919299 43.69635628 -0.40985260 3.10496869 5.35646382 Si 35.41113501 42.39715886 42.71414021 -39.66580523 3.43790231 7.29792587 Si 36.54196000 43.07956182 43.90243152 20.40103725 14.49305658 26.56571362 Si 39.58604388 40.46914856 40.08683335 69.77676108 33.94514522 14.91181431 Si 41.19774168 41.68579195 41.26227964 -88.88921496 -30.34633834 58.83207492 Si 42.50842636 42.05991366 40.29763519 82.87298046 26.32489320 -61.60131387 Si 43.96728249 43.37382565 40.41050065 3.94281939 2.54549718 0.55588127 Si 42.42006226 40.24098878 42.87054360 -7.62286546 0.76731466 -10.19854580 Si 43.71545013 41.26037384 44.07894161 6.30673594 7.75915617 6.70541100 Si 39.70214372 42.73093396 42.49942435 11.57338631 -4.29397552 3.73501486 Si 41.68602542 43.58079805 43.97014249 -1.09068844 0.26289127 -0.06364358