180 Lattice="8.590971976518635 0.0 0.0 0.0 8.590971976518635 0.0 0.0 0.0 57.27314651012422" Properties=species:S:1:pos:R:3:forces:R:3 energy=-749.0957797857253 stress="0.006240177068784336 2.69957757681566e-12 6.262994654252303e-08 2.69957757681566e-12 0.006240177066877275 -1.439854995718322e-07 6.262994654252303e-08 -1.439854995718322e-07 -5.369630761999643e-09" free_energy=-749.0957797857253 pbc="T T F" Fe -0.00075427 0.01101713 14.33292337 -0.00000555 0.00000347 0.00000009 Fe 1.43107327 1.44284650 15.74866377 -0.00000568 0.00000350 0.00000026 Fe -0.00075835 0.01101975 17.19577968 -0.00000441 0.00000246 0.00000015 Fe 1.43106692 1.44285048 18.61998937 -0.00000328 0.00000128 0.00000028 Fe -0.00076617 0.01102449 20.05309185 -0.00000156 0.00000009 -0.00000032 Fe 1.43105782 1.44285566 21.48468711 0.00000031 -0.00000124 -0.00000008 Fe -0.00077551 0.01102933 22.91659706 0.00000217 -0.00000263 -0.00000011 Fe 1.43104904 1.44285966 24.34840495 0.00000417 -0.00000338 -0.00000028 Fe -0.00078283 0.01103191 25.78023789 0.00000553 -0.00000414 0.00000022 Fe 1.43104393 1.44286053 27.21206540 0.00000687 -0.00000438 -0.00000022 Fe -0.00078508 0.01103085 28.64389461 0.00000726 -0.00000420 -0.00000002 Fe 1.43104490 1.44285754 30.07572207 0.00000706 -0.00000353 0.00000006 Fe -0.00078084 0.01102612 31.50755503 0.00000620 -0.00000271 -0.00000020 Fe 1.43105214 1.44285144 32.93936285 0.00000442 -0.00000140 0.00000005 Fe -0.00077125 0.01101912 34.37127272 0.00000217 -0.00000019 0.00000010 Fe 1.43106315 1.44284411 35.80286793 -0.00000048 0.00000125 -0.00000014 Fe -0.00075988 0.01101208 37.23597027 -0.00000321 0.00000228 0.00000018 Fe 1.43107349 1.44283802 38.66017986 -0.00000547 0.00000341 0.00000010 Fe -0.00075130 0.01100720 40.10729577 -0.00000739 0.00000414 0.00000003 Fe 1.43107937 1.44283478 41.52303625 -0.00000834 0.00000452 0.00000001 Fe -0.00075398 2.87467420 14.33292342 -0.00000614 0.00000405 -0.00000004 Fe 1.43107318 4.30650390 15.74866386 -0.00000549 0.00000338 0.00000015 Fe -0.00075822 2.87467692 17.19577974 -0.00000463 0.00000268 -0.00000008 Fe 1.43106686 4.30650782 18.61998941 -0.00000313 0.00000156 0.00000020 Fe -0.00076612 2.87468170 20.05309181 -0.00000165 0.00000020 0.00000001 Fe 1.43105780 4.30651299 21.48468709 0.00000035 -0.00000128 -0.00000012 Fe -0.00077548 2.87468662 22.91659705 0.00000208 -0.00000252 -0.00000003 Fe 1.43104904 4.30651700 24.34840495 0.00000411 -0.00000351 -0.00000025 Fe -0.00078281 2.87468923 25.78023791 0.00000539 -0.00000404 0.00000001 Fe 1.43104393 4.30651785 27.21206540 0.00000673 -0.00000421 -0.00000017 Fe -0.00078507 2.87468815 28.64389460 0.00000709 -0.00000392 -0.00000000 Fe 1.43104490 4.30651486 30.07572206 0.00000691 -0.00000343 0.00000004 Fe -0.00078083 2.87468343 31.50755502 0.00000601 -0.00000241 -0.00000018 Fe 1.43105214 4.30650875 32.93936286 0.00000425 -0.00000127 -0.00000001 Fe -0.00077124 2.87467643 34.37127273 0.00000198 -0.00000000 0.00000008 Fe 1.43106317 4.30650143 35.80286792 -0.00000064 0.00000131 -0.00000006 Fe -0.00075987 2.87466938 37.23597025 -0.00000333 0.00000255 0.00000022 Fe 1.43107351 4.30649533 38.66017984 -0.00000557 0.00000342 0.00000013 Fe -0.00075132 2.87466455 40.10729577 -0.00000737 0.00000416 0.00000002 Fe 1.43107939 4.30649206 41.52303625 -0.00000836 0.00000461 0.00000002 Fe -0.00075415 5.73833147 14.33292338 -0.00000581 0.00000413 0.00000004 Fe 1.43107302 7.17016124 15.74866378 -0.00000514 0.00000331 0.00000014 Fe -0.00075830 5.73833433 17.19577977 -0.00000445 0.00000237 -0.00000004 Fe 1.43106679 7.17016525 18.61998940 -0.00000293 0.00000124 0.00000028 Fe -0.00076616 5.73833910 20.05309183 -0.00000153 -0.00000008 -0.00000021 Fe 1.43105776 7.17017035 21.48468709 0.00000050 -0.00000140 0.00000014 Fe -0.00077550 5.73834392 22.91659704 0.00000221 -0.00000233 -0.00000003 Fe 1.43104901 7.17017432 24.34840494 0.00000419 -0.00000356 -0.00000036 Fe -0.00078283 5.73834655 25.78023790 0.00000558 -0.00000406 0.00000014 Fe 1.43104393 7.17017519 27.21206541 0.00000668 -0.00000427 -0.00000026 Fe -0.00078509 5.73834550 28.64389461 0.00000731 -0.00000411 -0.00000005 Fe 1.43104492 7.17017218 30.07572207 0.00000673 -0.00000336 0.00000007 Fe -0.00078084 5.73834076 31.50755501 0.00000623 -0.00000249 -0.00000011 Fe 1.43105216 7.17016607 32.93936285 0.00000405 -0.00000127 -0.00000000 Fe -0.00077124 5.73833376 34.37127273 0.00000214 -0.00000001 0.00000007 Fe 1.43106317 7.17015877 35.80286792 -0.00000077 0.00000131 -0.00000003 Fe -0.00075987 5.73832671 37.23597025 -0.00000326 0.00000252 0.00000016 Fe 1.43107350 7.17015265 38.66017985 -0.00000561 0.00000350 0.00000009 Fe -0.00075130 5.73832183 40.10729576 -0.00000737 0.00000425 0.00000008 Fe 1.43107937 7.17014938 41.52303624 -0.00000835 0.00000461 0.00000003 Fe 2.86290338 0.01101672 14.33292333 -0.00000618 0.00000435 0.00000013 Fe 4.29473044 1.44284653 15.74866381 -0.00000539 0.00000344 0.00000019 Fe 2.86289908 0.01101958 17.19577973 -0.00000458 0.00000276 0.00000007 Fe 4.29472417 1.44285049 18.61998942 -0.00000306 0.00000128 0.00000011 Fe 2.86289118 0.01102441 20.05309186 -0.00000173 0.00000017 -0.00000033 Fe 4.29471512 1.44285567 21.48468709 0.00000040 -0.00000118 -0.00000004 Fe 2.86288185 0.01102928 22.91659704 0.00000202 -0.00000256 -0.00000006 Fe 4.29470636 1.44285966 24.34840494 0.00000401 -0.00000331 -0.00000014 Fe 2.86287450 0.01103188 25.78023790 0.00000560 -0.00000396 0.00000014 Fe 4.29470126 1.44286053 27.21206541 0.00000661 -0.00000433 -0.00000021 Fe 2.86287224 0.01103083 28.64389461 0.00000729 -0.00000391 -0.00000008 Fe 4.29470222 1.44285754 30.07572208 0.00000695 -0.00000352 -0.00000018 Fe 2.86287650 0.01102610 31.50755503 0.00000586 -0.00000237 -0.00000009 Fe 4.29470947 1.44285144 32.93936285 0.00000423 -0.00000140 0.00000002 Fe 2.86288611 0.01101910 34.37127273 0.00000184 0.00000016 0.00000008 Fe 4.29472053 1.44284410 35.80286793 -0.00000083 0.00000127 0.00000008 Fe 2.86289744 0.01101207 37.23597025 -0.00000308 0.00000252 0.00000012 Fe 4.29473081 1.44283800 38.66017986 -0.00000558 0.00000344 0.00000005 Fe 2.86290595 0.01100721 40.10729576 -0.00000721 0.00000416 0.00000008 Fe 4.29473667 1.44283473 41.52303621 -0.00000828 0.00000461 0.00000005 Fe 2.86290334 2.87467438 14.33292337 -0.00000611 0.00000368 0.00000004 Fe 4.29473037 4.30650405 15.74866390 -0.00000521 0.00000305 0.00000007 Fe 2.86289906 2.87467700 17.19577979 -0.00000450 0.00000253 -0.00000018 Fe 4.29472414 4.30650790 18.61998947 -0.00000297 0.00000132 0.00000002 Fe 2.86289116 2.87468175 20.05309182 -0.00000163 0.00000010 -0.00000000 Fe 4.29471510 4.30651304 21.48468707 0.00000051 -0.00000149 -0.00000008 Fe 2.86288184 2.87468664 22.91659704 0.00000212 -0.00000261 0.00000003 Fe 4.29470635 4.30651702 24.34840493 0.00000411 -0.00000364 -0.00000012 Fe 2.86287450 2.87468924 25.78023792 0.00000568 -0.00000418 -0.00000008 Fe 4.29470125 4.30651786 27.21206541 0.00000667 -0.00000422 -0.00000015 Fe 2.86287223 2.87468817 28.64389460 0.00000735 -0.00000412 -0.00000005 Fe 4.29470223 4.30651485 30.07572208 0.00000695 -0.00000331 -0.00000020 Fe 2.86287650 2.87468345 31.50755502 0.00000590 -0.00000263 -0.00000007 Fe 4.29470948 4.30650874 32.93936286 0.00000421 -0.00000110 -0.00000003 Fe 2.86288612 2.87467644 34.37127274 0.00000184 -0.00000016 0.00000006 Fe 4.29472052 4.30650143 35.80286792 -0.00000083 0.00000144 0.00000015 Fe 2.86289745 2.87466938 37.23597024 -0.00000314 0.00000246 0.00000016 Fe 4.29473081 4.30649534 38.66017984 -0.00000556 0.00000346 0.00000009 Fe 2.86290598 2.87466453 40.10729576 -0.00000728 0.00000420 0.00000006 Fe 4.29473667 4.30649208 41.52303621 -0.00000831 0.00000457 0.00000005 Fe 2.86290311 5.73833171 14.33292330 -0.00000564 0.00000364 0.00000022 Fe 4.29473055 7.17016106 15.74866383 -0.00000560 0.00000370 0.00000007 Fe 2.86289896 5.73833443 17.19577984 -0.00000436 0.00000221 -0.00000018 Fe 4.29472422 7.17016516 18.61998945 -0.00000317 0.00000147 0.00000010 Fe 2.86289112 5.73833914 20.05309184 -0.00000167 -0.00000007 -0.00000023 Fe 4.29471515 7.17017031 21.48468707 0.00000041 -0.00000127 0.00000018 Fe 2.86288182 5.73834395 22.91659702 0.00000206 -0.00000234 0.00000002 Fe 4.29470637 7.17017431 24.34840493 0.00000412 -0.00000354 -0.00000021 Fe 2.86287449 5.73834657 25.78023791 0.00000568 -0.00000414 0.00000005 Fe 4.29470126 7.17017519 27.21206541 0.00000679 -0.00000436 -0.00000025 Fe 2.86287223 5.73834551 28.64389461 0.00000744 -0.00000425 -0.00000010 Fe 4.29470221 7.17017219 30.07572208 0.00000716 -0.00000354 -0.00000017 Fe 2.86287649 5.73834076 31.50755502 0.00000605 -0.00000265 -0.00000000 Fe 4.29470946 7.17016609 32.93936285 0.00000442 -0.00000147 -0.00000003 Fe 2.86288610 5.73833377 34.37127274 0.00000202 -0.00000021 0.00000005 Fe 4.29472051 7.17015878 35.80286792 -0.00000068 0.00000114 0.00000018 Fe 2.86289743 5.73832673 37.23597024 -0.00000297 0.00000236 0.00000009 Fe 4.29473079 7.17015267 38.66017986 -0.00000548 0.00000341 0.00000005 Fe 2.86290596 5.73832184 40.10729575 -0.00000722 0.00000418 0.00000010 Fe 4.29473664 7.17014939 41.52303620 -0.00000823 0.00000457 0.00000006 Fe 5.72656054 0.01101689 14.33292332 -0.00000590 0.00000397 0.00000016 Fe 7.15838761 1.44284668 15.74866380 -0.00000503 0.00000312 0.00000018 Fe 5.72655635 0.01101966 17.19577975 -0.00000445 0.00000260 0.00000007 Fe 7.15838148 1.44285056 18.61998938 -0.00000302 0.00000108 0.00000017 Fe 5.72654852 0.01102445 20.05309185 -0.00000165 0.00000005 -0.00000029 Fe 7.15837244 1.44285571 21.48468710 0.00000038 -0.00000133 -0.00000001 Fe 5.72653916 0.01102931 22.91659705 0.00000218 -0.00000270 -0.00000018 Fe 7.15836366 1.44285968 24.34840494 0.00000420 -0.00000338 -0.00000015 Fe 5.72653182 0.01103191 25.78023790 0.00000563 -0.00000415 0.00000008 Fe 7.15835857 1.44286053 27.21206541 0.00000686 -0.00000427 -0.00000028 Fe 5.72652957 0.01103085 28.64389460 0.00000722 -0.00000414 0.00000008 Fe 7.15835956 1.44285753 30.07572207 0.00000689 -0.00000333 -0.00000010 Fe 5.72653381 0.01102612 31.50755501 0.00000604 -0.00000258 -0.00000001 Fe 7.15836682 1.44285142 32.93936283 0.00000388 -0.00000119 0.00000015 Fe 5.72654342 0.01101911 34.37127274 0.00000210 -0.00000001 -0.00000010 Fe 7.15837783 1.44284410 35.80286793 -0.00000080 0.00000141 -0.00000000 Fe 5.72655480 0.01101206 37.23597029 -0.00000324 0.00000244 0.00000001 Fe 7.15838816 1.44283801 38.66017991 -0.00000549 0.00000348 -0.00000008 Fe 5.72656329 0.01100718 40.10729574 -0.00000728 0.00000421 0.00000017 Fe 7.15839399 1.44283475 41.52303615 -0.00000829 0.00000458 0.00000021 Fe 5.72656029 2.87467448 14.33292337 -0.00000537 0.00000348 0.00000004 Fe 7.15838778 4.30650379 15.74866389 -0.00000539 0.00000363 0.00000009 Fe 5.72655625 2.87467704 17.19577982 -0.00000430 0.00000247 -0.00000016 Fe 7.15838157 4.30650777 18.61998942 -0.00000325 0.00000164 0.00000011 Fe 5.72654848 2.87468176 20.05309182 -0.00000166 0.00000013 0.00000004 Fe 7.15837248 4.30651297 21.48468708 0.00000025 -0.00000129 -0.00000005 Fe 5.72653913 2.87468665 22.91659704 0.00000218 -0.00000256 -0.00000010 Fe 7.15836368 4.30651699 24.34840494 0.00000417 -0.00000361 -0.00000012 Fe 5.72653180 2.87468924 25.78023792 0.00000571 -0.00000413 -0.00000013 Fe 7.15835857 4.30651786 27.21206541 0.00000694 -0.00000439 -0.00000024 Fe 5.72652956 2.87468816 28.64389460 0.00000733 -0.00000408 0.00000011 Fe 7.15835955 4.30651487 30.07572207 0.00000705 -0.00000365 -0.00000011 Fe 5.72653381 2.87468344 31.50755501 0.00000620 -0.00000261 0.00000001 Fe 7.15836680 4.30650876 32.93936284 0.00000408 -0.00000146 0.00000009 Fe 5.72654341 2.87467644 34.37127274 0.00000230 -0.00000019 -0.00000011 Fe 7.15837782 4.30650145 35.80286793 -0.00000064 0.00000116 0.00000007 Fe 5.72655478 2.87466939 37.23597028 -0.00000306 0.00000242 0.00000004 Fe 7.15838815 4.30649534 38.66017988 -0.00000540 0.00000333 0.00000001 Fe 5.72656327 2.87466454 40.10729574 -0.00000723 0.00000415 0.00000017 Fe 7.15839397 4.30649210 41.52303618 -0.00000823 0.00000450 0.00000010 Fe 5.72656069 5.73833143 14.33292332 -0.00000618 0.00000421 0.00000016 Fe 7.15838776 7.17016118 15.74866382 -0.00000535 0.00000344 0.00000008 Fe 5.72655643 5.73833431 17.19577986 -0.00000462 0.00000244 -0.00000015 Fe 7.15838156 7.17016521 18.61998941 -0.00000325 0.00000136 0.00000018 Fe 5.72654856 5.73833908 20.05309184 -0.00000175 0.00000001 -0.00000018 Fe 7.15837248 7.17017034 21.48468708 0.00000018 -0.00000131 0.00000021 Fe 5.72653918 5.73834392 22.91659703 0.00000210 -0.00000225 -0.00000010 Fe 7.15836368 7.17017431 24.34840493 0.00000407 -0.00000347 -0.00000022 Fe 5.72653183 5.73834655 25.78023791 0.00000552 -0.00000400 0.00000000 Fe 7.15835857 7.17017518 27.21206541 0.00000687 -0.00000422 -0.00000033 Fe 5.72652958 5.73834549 28.64389460 0.00000703 -0.00000407 0.00000006 Fe 7.15835955 7.17017219 30.07572208 0.00000702 -0.00000336 -0.00000009 Fe 5.72653383 5.73834076 31.50755500 0.00000583 -0.00000246 0.00000008 Fe 7.15836681 7.17016608 32.93936283 0.00000406 -0.00000129 0.00000010 Fe 5.72654343 5.73833377 34.37127274 0.00000195 -0.00000003 -0.00000012 Fe 7.15837783 7.17015877 35.80286793 -0.00000065 0.00000130 0.00000010 Fe 5.72655479 5.73832673 37.23597028 -0.00000330 0.00000246 -0.00000002 Fe 7.15838817 7.17015265 38.66017990 -0.00000545 0.00000351 -0.00000004 Fe 5.72656328 5.73832186 40.10729572 -0.00000729 0.00000418 0.00000023 Fe 7.15839401 7.17014936 41.52303616 -0.00000832 0.00000466 0.00000014