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=634.3633698436322 stress="-0.004363089308460875 -0.0007913623588143775 -0.000576463248785112 -0.0007913623588143775 -0.004344666239916658 -0.0003143584296166999 -0.000576463248785112 -0.0003143584296166999 -0.004259694712337482" free_energy=634.3633698436322 pbc="F F F" Te 35.06544699 35.55450310 35.15944481 -5.88174532 -2.69926744 -4.40179914 Te 36.77460324 36.21467872 36.76690582 -16.03112806 10.99849290 -10.82174322 Te 37.81703894 36.87267142 34.55403308 -0.76426369 1.12021031 -9.44924317 Te 38.87092295 38.54444233 36.27097969 3.93908853 3.88624542 -10.88998763 Te 37.78185564 34.67423500 37.70609579 -7.82726151 -43.85321978 -7.23110010 Te 38.67647898 36.20959245 38.49469792 -56.97669790 -17.28649952 -24.66516104 Te 34.78156831 37.88573857 37.65580038 -9.76844502 -0.04711767 -4.28444150 Te 36.65674937 38.03071159 39.24707370 -47.74209914 42.75381020 -22.80697043 Te 39.67714177 35.07454536 34.60149343 1.38957658 -3.40631837 -1.33351136 Te 41.60760404 36.71522721 36.00439459 -30.98291211 -13.13369215 17.97649557 Te 42.80820902 37.21963622 34.80539633 22.35010075 -5.89669340 -45.67376637 Te 43.35320685 38.69151616 36.04641741 17.86999313 14.37493749 8.47446284 Te 42.70438499 35.07550802 37.42010011 -17.07886102 -20.31881950 -14.42225888 Te 43.95988817 35.75446246 38.58168652 27.41966808 4.92783832 14.34476918 Te 39.86354409 37.00203356 37.88688112 49.57375873 21.21146839 -52.20349653 Te 40.83824509 38.35112862 38.68625418 23.25249460 21.50058992 11.34814933 Te 35.31841281 39.94751650 34.92139371 -21.54218450 -17.97393565 -27.63065324 Te 36.26796965 40.75121598 36.27048984 -10.89342443 -0.62004486 24.89405516 Te 37.24380690 42.09311868 35.40565462 18.16994249 18.92684134 -27.39379012 Te 37.83988220 43.61230136 36.89233762 5.35143028 13.29016392 3.28495022 Te 37.35617486 39.60694090 37.60696959 6.24453955 -0.02792206 13.18838670 Te 38.81343399 41.37996245 39.19332522 -45.92785921 13.95976523 -17.28157056 Te 35.29863537 42.71840054 37.76987678 -16.61632894 -7.23957407 -10.72110064 Te 36.24182058 43.80165555 39.23170838 -18.32823314 27.18006404 -2.49749610 Te 40.51842906 39.55243985 34.52038785 -0.44759804 0.75503543 -4.68586413 Te 41.53966064 41.15961708 36.55841029 -24.79446299 5.85566186 -33.67859790 Te 42.25499579 42.55534914 34.90095341 4.19255093 8.32004134 -12.45685804 Te 44.05057206 43.68393079 36.54543021 1.72890576 1.14908491 1.20565145 Te 42.62788573 40.32808439 37.53640482 33.58692622 -24.04242986 31.29056908 Te 44.00032572 41.73650826 39.35145451 26.18244118 -3.69253071 -7.57768239 Te 40.39090109 42.55800575 37.55517182 -36.08931210 -18.83989957 -47.95506109 Te 40.93842517 43.49120044 38.68450067 18.94578185 59.47115866 38.47509645 Te 35.37261936 35.49460844 39.99308332 -44.12112987 -58.61045662 -44.38304996 Te 36.09963249 36.49014761 40.86442550 20.22682327 33.24333275 54.72637625 Te 37.92223225 37.15983348 39.84540559 22.95375197 -10.75376416 39.60918250 Te 38.76442158 38.81754574 40.80695144 3.95961977 21.80258035 7.43089395 Te 37.40284988 35.30281345 42.92223314 -54.01088665 -31.78135066 -9.44151723 Te 38.81399505 35.95813019 43.28900512 43.59158920 2.91550681 32.16553035 Te 35.19919299 37.75841250 42.72405928 -27.49947434 -7.88567178 -15.90239765 Te 36.27933831 38.34951249 44.12458466 10.66684218 -1.67866964 36.99715311 Te 39.63213332 35.45906900 39.58604388 43.82685281 -50.48016774 52.40197963 Te 41.71914856 36.03019587 41.27581797 -13.14360345 -1.15523460 -0.16748660 Te 42.93579195 37.39650150 40.00842636 -2.85441669 -17.94923280 -33.78973144 Te 43.30991366 38.59445980 41.19500920 24.46763837 24.56945701 20.58971921 Te 42.71419249 34.61367604 42.42006226 7.99537888 -13.45359832 10.11192917 Te 44.15754354 36.80369587 43.64190589 0.88904295 0.37291658 1.55706377 Te 39.53578513 37.40006741 42.20214372 19.65766673 14.46003551 -0.78503568 Te 41.59308776 38.45954800 44.21366766 -2.70225738 -8.50504613 12.42925450 Te 34.64764578 40.29368674 40.22025637 -34.19305445 -34.16507815 -29.50350446 Te 35.76725030 41.31538150 41.04482210 77.26122219 -29.22886150 -49.28529820 Te 37.69533077 42.96134477 40.16611730 -22.73440206 -31.91842019 -10.71205606 Te 38.74400789 43.85374949 40.99859303 37.52017459 44.55056175 26.79942774 Te 37.08978278 39.73347939 42.72060691 3.27356258 3.82999722 -11.62956669 Te 38.49136734 41.27698724 43.42953345 -24.16274650 -29.81273326 29.89515830 Te 35.06317802 42.05658407 42.02745244 -58.32508776 58.61980674 74.93350850 Te 35.88557309 43.49021189 43.80426674 3.17536466 4.66415973 5.98459108 Te 40.17728387 40.49566835 39.47142373 28.75851379 -38.05944670 0.41852131 Te 41.37884593 41.38629877 40.92536678 -40.91895569 -42.99657032 68.91567125 Te 42.13986266 42.24044499 40.02333546 46.04024012 57.90723193 -37.61005194 Te 43.96693270 43.59455222 41.78274123 2.11552361 2.97252737 2.12371293 Te 42.07750744 39.77206112 42.51239893 -9.48050903 4.17832672 4.01059292 Te 43.41958417 41.36824608 43.49564588 7.28334608 7.89053132 6.82196501 Te 39.46241249 42.45127958 42.75126359 19.89685729 20.27594271 -19.57793751 Te 40.85683667 43.69242952 43.48512663 18.08213128 15.57794299 10.44496949