64 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=3208.2576183856195 stress="-0.16528883546428658 -0.01750870628164006 -0.004344127630529783 -0.01750870628164006 -0.15315770851072436 -0.00595031904340767 -0.004344127630529783 -0.00595031904340767 -0.13762535928148198" free_energy=3208.2576183856195 pbc="F F F" C 17.72086729 17.48310996 17.27096654 -486.89919175 -530.37174024 -184.96540965 C 18.02642137 17.81072417 17.38596447 407.57849424 380.72491269 127.56876490 C 18.62409462 18.47516294 17.73402360 70.36351579 -12.14212480 3.91876039 C 18.61236736 19.62245172 17.83890753 27.07227161 14.67603269 -87.84181189 C 18.91099888 17.43158033 19.58728409 -305.46782054 -395.73879502 10.51643209 C 19.48340215 17.94849581 19.07518589 6.48337569 -144.68439993 -314.39074261 C 17.14671032 19.24341701 19.05973961 -108.57227447 -68.13517172 -108.67522270 C 18.43104684 19.70136534 19.95291220 75.82580142 427.74642247 -151.76386860 C 20.66534341 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19.80797782 20.16820854 19.50999011 359.40597411 -74.31854739 -71.43589970 C 18.06793627 21.57219294 18.88905551 -9.72506380 48.69773113 -98.60529797 C 17.54621003 21.78849090 19.70431507 -201.43389256 197.76944585 55.00736360 C 20.78824077 20.33986034 17.20305829 -19.31279629 -38.14787498 -154.12269237 C 20.97865422 20.49975624 18.34151109 -61.76046248 86.09680932 -116.93388347 C 20.58091330 21.59687397 17.57960460 -27.59498265 64.22054469 -82.27896057 C 21.78843276 21.65965187 17.77643265 64.86202279 29.18552188 -9.69109628 C 21.33087455 20.09122498 18.93058431 -47.90298183 -88.81118919 76.59139474 C 22.10269358 20.14504943 19.17032507 254.00129292 31.26475240 63.81915101 C 19.66448343 21.03690906 18.45113024 118.26441410 -141.18223643 -18.33313195 C 20.35055741 21.44414392 19.32580136 -144.47875751 76.32769785 13.49509808 C 17.55615299 17.54331559 19.92400563 -250.22454168 -208.04343428 -91.25148893 C 18.06152430 17.98944698 20.21766193 0.84823823 55.88121162 130.37176597 C 18.25297454 19.24791377 19.95603854 -281.33992521 -485.68524134 -60.99436586 C 18.89080372 19.14394432 20.72225891 20.34603931 -336.87407368 317.24480167 C 18.57277407 17.46989052 21.11669775 -40.15150639 -74.05885180 87.31346834 C 19.70950338 17.63071598 21.70975277 -81.57392204 -104.53888578 183.10568692 C 17.49655912 19.21978731 21.41572560 -283.61474258 -116.95006964 -4.74154163 C 18.09922232 19.54450201 21.67155608 -130.41922341 -64.97095236 172.81752055 C 19.46018017 17.96070971 19.93243017 64.46762566 25.72091874 205.45564464 C 21.22564744 17.88331489 20.45246063 137.36849762 -106.62218034 57.93662264 C 21.59911873 18.84828304 20.08801189 259.53624941 -43.42296858 -242.23793201 C 21.38430844 19.11925818 20.41235392 -254.80334006 428.97705683 517.03882302 C 20.50743013 17.35081933 20.78879075 -28.23091847 -274.44331685 73.90127172 C 21.53004494 17.69823836 21.87681405 45.71346538 -6.74049241 30.80828080 C 20.13016538 18.25409575 21.03344179 -48.18329912 177.76951568 41.33779008 C 20.31542883 19.35573442 21.92962855 125.93323876 -147.28831426 98.44460336 C 17.33286624 19.78943560 19.88434829 -287.83449304 128.96062744 31.08705122 C 18.02175867 20.98856488 20.07686026 -199.00911562 -69.53031514 74.56790632 C 19.07350393 20.68871828 19.80335328 83.10619852 98.08295503 -44.83363305 C 18.81416987 21.40837470 20.25327378 34.97368976 370.33662649 167.81981091 C 18.61102597 19.94186987 21.82704319 146.71460791 202.76340911 157.53109119 C 19.79204070 20.16857549 22.15059676 1.98422881 123.10494452 125.89274148 C 17.54351831 21.98553491 21.38970276 -33.69145868 11.16806854 19.17540551 C 18.84919286 22.10175809 21.72147343 13.38151191 3.37104849 6.38922257 C 19.50493887 19.74812168 20.53524072 226.85518259 35.39651152 115.01632982 C 20.36545909 20.60392384 20.49665250 37.23993735 -219.53302839 -466.20498264 C 21.09497277 21.55178516 19.47095319 302.65511811 134.72258576 99.33577150 C 21.72690317 22.13811301 20.61680419 25.17612799 41.10968323 -6.76291723 C 21.26989586 20.42044581 21.33223207 98.97530833 -95.08341250 47.68917630 C 22.05833148 20.75715830 22.09576095 30.51886283 11.89050431 25.78694560 C 20.39757659 20.86536967 20.88716159 5.30875251 400.15905280 473.30579608 C 20.97356987 22.18668698 21.98049530 -2.10996464 33.65113828 15.28490612