252 Lattice="12.859821140071592 0.0 0.0 0.0 9.093266732990742 0.0 0.0 0.0 60.01249865366742" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1297.545225929942 stress="0.000856037141663936 -1.5906855429553289e-13 -3.530673000626436e-09 -1.5906855429553289e-13 0.00608074567689307 -1.3160211487150187e-06 -3.530673000626436e-09 -1.3160211487150187e-06 9.951833443699583e-07" free_energy=-1297.545225929942 pbc="T T F" V -0.00104635 0.00865054 15.08269372 0.00000157 -0.00000831 0.00000446 V 2.14225718 1.52419498 15.08269377 0.00000141 -0.00000832 0.00000430 V 2.14226686 0.00863345 17.13521616 -0.00000006 -0.00000700 0.00000405 V 4.28557043 1.52417790 17.13521610 -0.00000039 -0.00000689 0.00000469 V 4.28557133 0.00861533 19.29743275 -0.00000092 -0.00000594 0.00000291 V 6.42887483 1.52415966 19.29743266 -0.00000059 -0.00000517 0.00000381 V 6.42887545 0.00859130 21.43699303 0.00000107 -0.00000440 0.00000352 V 8.57217919 1.52413565 21.43699305 -0.00000124 -0.00000405 0.00000360 V 8.57217926 0.00856235 23.58105049 0.00000130 -0.00000077 0.00000121 V 10.71548289 1.52410707 23.58105001 0.00000013 -0.00000346 0.00000597 V 10.71548281 0.00853073 25.72420851 -0.00000078 0.00000326 -0.00000151 V 12.85878646 1.52407577 25.72420801 -0.00000199 -0.00000202 0.00000300 V -0.00103572 0.00849870 27.86754745 0.00000224 0.00000502 0.00000154 V 2.14226842 1.52404370 27.86754760 -0.00000358 -0.00000007 -0.00000051 V 2.14226702 0.00846801 30.01084399 0.00000124 0.00000499 -0.00000096 V 4.28557060 1.52401287 30.01084363 0.00000073 0.00000109 0.00000244 V 4.28556966 0.00843999 32.15418372 -0.00000009 0.00000575 -0.00000436 V 6.42887326 1.52398489 32.15418332 -0.00000085 0.00000178 -0.00000004 V 6.42887204 0.00841592 34.29734140 0.00000200 0.00000689 -0.00000214 V 8.57217601 1.52396082 34.29734158 -0.00000235 0.00000306 -0.00000347 V 8.57217502 0.00839668 36.44139893 0.00000069 0.00000611 -0.00000347 V 10.71547858 1.52394136 36.44139879 0.00000050 0.00000397 -0.00000198 V 10.71547826 0.00838235 38.58095966 0.00000049 0.00000440 -0.00000538 V -0.00103925 1.52392683 38.58095938 -0.00000045 0.00000378 -0.00000282 V -0.00103951 0.00837234 40.74317623 0.00000153 0.00000406 -0.00000473 V 2.14226423 1.52391681 40.74317622 -0.00000062 0.00000386 -0.00000452 V 2.14226709 0.00836364 42.79569870 -0.00000055 0.00000416 -0.00000482 V 4.28557057 1.52390810 42.79569872 -0.00000036 0.00000411 -0.00000473 V -0.00104636 3.03973947 15.08269372 0.00000158 -0.00000837 0.00000439 V 2.14225719 4.55528388 15.08269377 0.00000140 -0.00000826 0.00000431 V 2.14226684 3.03972236 17.13521615 0.00000012 -0.00000703 0.00000409 V 4.28557043 4.55526683 17.13521612 -0.00000033 -0.00000712 0.00000453 V 4.28557130 3.03970424 19.29743272 -0.00000066 -0.00000598 0.00000322 V 6.42887479 4.55524872 19.29743267 -0.00000021 -0.00000645 0.00000370 V 6.42887550 3.03968019 21.43699303 0.00000061 -0.00000436 0.00000352 V 8.57217921 4.55522456 21.43699312 -0.00000137 -0.00000392 0.00000295 V 8.57217934 3.03965150 23.58105055 0.00000051 -0.00000324 0.00000064 V 10.71548298 4.55519556 23.58105010 -0.00000071 0.00000050 0.00000516 V 10.71548281 3.03962026 25.72420853 -0.00000081 -0.00000270 -0.00000166 V 12.85878653 4.55516405 25.72420798 -0.00000259 0.00000390 0.00000317 V -0.00103576 3.03958828 27.86754742 0.00000259 -0.00000135 0.00000181 V 2.14226840 4.55513211 27.86754747 -0.00000347 0.00000479 0.00000068 V 2.14226704 3.03955731 30.01084400 0.00000113 0.00000117 -0.00000103 V 4.28557059 4.55510136 30.01084354 0.00000075 0.00000519 0.00000322 V 4.28556971 3.03952918 32.15418376 -0.00000047 0.00000301 -0.00000474 V 6.42887330 4.55507332 32.15418335 -0.00000125 0.00000634 -0.00000021 V 6.42887198 3.03950524 34.29734141 0.00000252 0.00000306 -0.00000223 V 8.57217597 4.55504940 34.29734159 -0.00000207 0.00000628 -0.00000350 V 8.57217492 3.03948590 36.44139892 0.00000154 0.00000319 -0.00000335 V 10.71547845 4.55503021 36.44139876 0.00000162 0.00000467 -0.00000172 V 10.71547825 3.03947128 38.58095966 0.00000058 0.00000421 -0.00000534 V -0.00103930 4.55501574 38.58095941 0.00000002 0.00000391 -0.00000316 V -0.00103949 3.03946121 40.74317622 0.00000138 0.00000446 -0.00000468 V 2.14226425 4.55500568 40.74317626 -0.00000069 0.00000417 -0.00000494 V 2.14226708 3.03945255 42.79569869 -0.00000053 0.00000420 -0.00000470 V 4.28557059 4.55499700 42.79569872 -0.00000037 0.00000419 -0.00000478 V -0.00104633 6.07082837 15.08269371 0.00000155 -0.00000835 0.00000450 V 2.14225720 7.58637281 15.08269378 0.00000139 -0.00000835 0.00000432 V 2.14226686 6.07081127 17.13521616 -0.00000006 -0.00000701 0.00000410 V 4.28557041 7.58635574 17.13521611 -0.00000020 -0.00000704 0.00000464 V 4.28557136 6.07079307 19.29743271 -0.00000121 -0.00000529 0.00000337 V 6.42887481 7.58633750 19.29743264 -0.00000040 -0.00000541 0.00000401 V 6.42887551 6.07076901 21.43699296 0.00000051 -0.00000353 0.00000422 V 8.57217930 7.58631347 21.43699314 -0.00000213 -0.00000410 0.00000275 V 8.57217924 6.07074037 23.58105042 0.00000145 -0.00000280 0.00000189 V 10.71548302 7.58628493 23.58105014 -0.00000103 -0.00000388 0.00000478 V 10.71548271 6.07070912 25.72420849 0.00000009 -0.00000213 -0.00000130 V 12.85878647 7.58625376 25.72420800 -0.00000207 -0.00000359 0.00000305 V -0.00103576 6.07067710 27.86754757 0.00000261 -0.00000048 0.00000048 V 2.14226836 7.58622168 27.86754750 -0.00000315 -0.00000149 0.00000039 V 2.14226702 6.07064621 30.01084415 0.00000125 0.00000125 -0.00000243 V 4.28557062 7.58619067 30.01084360 0.00000048 0.00000122 0.00000272 V 4.28556961 6.07061821 32.15418378 0.00000043 0.00000189 -0.00000490 V 6.42887327 7.58616265 32.15418335 -0.00000100 0.00000234 -0.00000026 V 6.42887195 6.07059422 34.29734140 0.00000276 0.00000235 -0.00000219 V 8.57217588 7.58613870 34.29734157 -0.00000121 0.00000267 -0.00000331 V 8.57217504 6.07057479 36.44139897 0.00000047 0.00000334 -0.00000381 V 10.71547844 7.58611919 36.44139877 0.00000179 0.00000395 -0.00000175 V 10.71547833 6.07056021 38.58095968 -0.00000019 0.00000394 -0.00000553 V -0.00103925 7.58610452 38.58095943 -0.00000035 0.00000500 -0.00000323 V -0.00103949 6.07055016 40.74317619 0.00000135 0.00000405 -0.00000443 V 2.14226426 7.58609455 40.74317624 -0.00000085 0.00000458 -0.00000466 V 2.14226710 6.07054145 42.79569868 -0.00000056 0.00000414 -0.00000464 V 4.28557059 7.58608591 42.79569870 -0.00000039 0.00000420 -0.00000458 V 4.28556071 0.00865055 15.08269381 0.00000155 -0.00000838 0.00000414 V 6.42886423 1.52419502 15.08269375 0.00000154 -0.00000835 0.00000431 V 6.42887394 0.00863348 17.13521614 -0.00000021 -0.00000736 0.00000405 V 8.57217748 1.52417787 17.13521616 -0.00000035 -0.00000699 0.00000386 V 8.57217830 0.00861528 19.29743262 -0.00000015 -0.00000616 0.00000429 V 10.71548178 1.52415970 19.29743272 0.00000007 -0.00000598 0.00000341 V 10.71548272 0.00859106 21.43699318 -0.00000125 -0.00000277 0.00000249 V 12.85878586 1.52413577 21.43699291 0.00000219 -0.00000478 0.00000487 V -0.00103452 0.00856216 23.58105056 -0.00000198 0.00000122 0.00000051 V 2.14226882 1.52410708 23.58105038 -0.00000011 -0.00000267 0.00000177 V 2.14226846 0.00853079 25.72420787 0.00000167 0.00000332 0.00000370 V 4.28557239 1.52407570 25.72420838 -0.00000202 -0.00000092 -0.00000138 V 4.28557161 0.00849881 27.86754737 -0.00000037 0.00000427 0.00000156 V 6.42887477 1.52404372 27.86754745 0.00000310 -0.00000028 0.00000124 V 6.42887444 0.00846796 30.01084413 -0.00000239 0.00000551 -0.00000188 V 8.57217756 1.52401291 30.01084412 0.00000142 0.00000087 -0.00000119 V 8.57217651 0.00844002 32.15418338 0.00000183 0.00000600 0.00000005 V 10.71548041 1.52398480 32.15418390 -0.00000167 0.00000287 -0.00000498 V 10.71547926 0.00841620 34.29734140 0.00000047 0.00000477 -0.00000163 V -0.00103854 1.52396071 34.29734149 0.00000238 0.00000371 -0.00000289 V 12.85878231 0.00839690 36.44139898 -0.00000131 0.00000376 -0.00000410 V 2.14226423 1.52394138 36.44139891 0.00000279 0.00000300 -0.00000368 V 2.14226409 0.00838229 38.58095944 0.00000130 0.00000430 -0.00000345 V 4.28556766 1.52392689 38.58095967 0.00000058 0.00000288 -0.00000554 V 4.28556759 0.00837228 40.74317625 0.00000079 0.00000452 -0.00000463 V 6.42887112 1.52391683 40.74317623 0.00000075 0.00000373 -0.00000478 V 6.42887409 0.00836359 42.79569868 -0.00000038 0.00000429 -0.00000482 V 8.57217765 1.52390802 42.79569865 -0.00000051 0.00000423 -0.00000477 V 4.28556070 3.03973943 15.08269380 0.00000155 -0.00000828 0.00000416 V 6.42886424 4.55528393 15.08269376 0.00000152 -0.00000835 0.00000435 V 6.42887394 3.03972234 17.13521610 -0.00000025 -0.00000685 0.00000438 V 8.57217749 4.55526682 17.13521613 -0.00000041 -0.00000724 0.00000416 V 8.57217835 3.03970407 19.29743261 -0.00000055 -0.00000514 0.00000436 V 10.71548183 4.55524854 19.29743274 -0.00000032 -0.00000536 0.00000318 V 10.71548277 3.03968014 21.43699323 -0.00000171 -0.00000454 0.00000204 V 12.85878592 4.55522439 21.43699303 0.00000163 -0.00000213 0.00000378 V -0.00103457 3.03965171 23.58105059 -0.00000153 -0.00000484 0.00000024 V 2.14226880 4.55519564 23.58105045 0.00000007 0.00000066 0.00000112 V 2.14226838 3.03962046 25.72420792 0.00000237 -0.00000385 0.00000328 V 4.28557231 4.55516427 25.72420839 -0.00000131 0.00000238 -0.00000140 V 4.28557163 3.03958828 27.86754744 -0.00000051 -0.00000117 0.00000085 V 6.42887473 4.55513218 27.86754744 0.00000346 0.00000407 0.00000136 V 6.42887445 3.03955732 30.01084415 -0.00000250 0.00000120 -0.00000212 V 8.57217757 4.55510136 30.01084414 0.00000139 0.00000537 -0.00000141 V 8.57217643 3.03952934 32.15418333 0.00000244 0.00000213 0.00000046 V 10.71548033 4.55507351 32.15418388 -0.00000102 0.00000495 -0.00000475 V 10.71547921 3.03950524 34.29734137 0.00000082 0.00000345 -0.00000134 V -0.00103862 4.55504961 34.29734141 0.00000309 0.00000403 -0.00000218 V 12.85878238 3.03948564 36.44139900 -0.00000196 0.00000518 -0.00000432 V 2.14226428 4.55503015 36.44139890 0.00000242 0.00000442 -0.00000359 V 2.14226414 3.03947109 38.58095940 0.00000085 0.00000524 -0.00000304 V 4.28556774 4.55501555 38.58095968 -0.00000009 0.00000524 -0.00000570 V 4.28556761 3.03946120 40.74317619 0.00000067 0.00000439 -0.00000408 V 6.42887115 4.55500563 40.74317622 0.00000055 0.00000476 -0.00000462 V 6.42887410 3.03945251 42.79569865 -0.00000038 0.00000419 -0.00000464 V 8.57217766 4.55499693 42.79569863 -0.00000053 0.00000430 -0.00000464 V 4.28556071 6.07082835 15.08269382 0.00000154 -0.00000828 0.00000415 V 6.42886425 7.58637285 15.08269373 0.00000150 -0.00000834 0.00000450 V 6.42887396 6.07081124 17.13521617 -0.00000038 -0.00000680 0.00000389 V 8.57217751 7.58635566 17.13521613 -0.00000057 -0.00000670 0.00000416 V 8.57217830 6.07079303 19.29743262 -0.00000009 -0.00000560 0.00000437 V 10.71548185 7.58633747 19.29743278 -0.00000053 -0.00000553 0.00000283 V 10.71548266 6.07076908 21.43699311 -0.00000068 -0.00000472 0.00000325 V 12.85878589 7.58631364 21.43699306 0.00000195 -0.00000532 0.00000351 V -0.00103459 6.07074047 23.58105047 -0.00000135 -0.00000338 0.00000136 V 2.14226871 7.58628517 23.58105049 0.00000084 -0.00000516 0.00000078 V 2.14226847 6.07070911 25.72420791 0.00000155 -0.00000138 0.00000339 V 4.28557228 7.58625378 25.72420847 -0.00000109 -0.00000334 -0.00000220 V 4.28557167 6.07067706 27.86754744 -0.00000087 0.00000004 0.00000084 V 6.42887477 7.58622158 27.86754751 0.00000310 -0.00000066 0.00000068 V 6.42887443 6.07064628 30.01084412 -0.00000235 0.00000078 -0.00000189 V 8.57217754 7.58619071 30.01084410 0.00000162 0.00000107 -0.00000103 V 8.57217653 6.07061823 32.15418334 0.00000165 0.00000233 0.00000035 V 10.71548031 7.58616266 32.15418379 -0.00000078 0.00000258 -0.00000399 V 10.71547936 6.07059411 34.29734142 -0.00000049 0.00000381 -0.00000184 V -0.00103856 7.58613844 34.29734142 0.00000253 0.00000454 -0.00000220 V 12.85878240 6.07057470 36.44139900 -0.00000213 0.00000378 -0.00000429 V 2.14226438 7.58611892 36.44139891 0.00000156 0.00000554 -0.00000362 V 2.14226408 6.07056021 38.58095938 0.00000145 0.00000330 -0.00000294 V 4.28556774 7.58610452 38.58095960 -0.00000019 0.00000468 -0.00000494 V 4.28556758 6.07055019 40.74317622 0.00000100 0.00000373 -0.00000444 V 6.42887112 7.58609462 40.74317616 0.00000069 0.00000406 -0.00000415 V 6.42887411 6.07054144 42.79569867 -0.00000040 0.00000414 -0.00000485 V 8.57217764 7.58608584 42.79569863 -0.00000050 0.00000423 -0.00000460 V 8.57216777 0.00865059 15.08269373 0.00000145 -0.00000842 0.00000443 V 10.71547127 1.52419503 15.08269377 0.00000152 -0.00000840 0.00000420 V 10.71548094 0.00863341 17.13521609 0.00000013 -0.00000694 0.00000466 V -0.00103660 1.52417790 17.13521611 -0.00000067 -0.00000716 0.00000424 V -0.00103570 0.00861517 19.29743269 -0.00000122 -0.00000497 0.00000363 V 2.14226764 1.52415974 19.29743257 0.00000044 -0.00000568 0.00000472 V 2.14226880 0.00859112 21.43699308 -0.00000304 -0.00000253 0.00000299 V 4.28557209 1.52413567 21.43699305 -0.00000066 -0.00000343 0.00000318 V 4.28557229 0.00856242 23.58104996 0.00000040 -0.00000060 0.00000559 V 6.42887618 1.52410698 23.58105038 -0.00000286 -0.00000212 0.00000182 V 6.42887577 0.00853094 25.72420795 -0.00000070 0.00000177 0.00000313 V 8.57217912 1.52407573 25.72420792 0.00000095 -0.00000180 0.00000393 V 8.57217903 0.00849877 27.86754768 -0.00000396 0.00000433 -0.00000032 V 10.71548205 1.52404374 27.86754762 0.00000065 -0.00000067 0.00000040 V 10.71548121 0.00846802 30.01084376 0.00000023 0.00000510 0.00000242 V -0.00103618 1.52401285 30.01084433 -0.00000197 0.00000133 -0.00000348 V -0.00103740 0.00844017 32.15418328 0.00000012 0.00000438 0.00000045 V 2.14226602 1.52398478 32.15418329 0.00000121 0.00000248 -0.00000010 V 2.14226543 0.00841614 34.29734145 -0.00000205 0.00000456 -0.00000298 V 4.28556859 1.52396082 34.29734128 0.00000116 0.00000228 -0.00000139 V 4.28556806 0.00839661 36.44139874 -0.00000017 0.00000589 -0.00000193 V 6.42887156 1.52394148 36.44139902 -0.00000011 0.00000247 -0.00000453 V 6.42887126 0.00838215 38.58095942 -0.00000025 0.00000584 -0.00000324 V 8.57217470 1.52392688 38.58095948 0.00000076 0.00000354 -0.00000366 V 8.57217473 0.00837229 40.74317619 -0.00000001 0.00000463 -0.00000456 V 10.71547828 1.52391680 40.74317621 -0.00000014 0.00000412 -0.00000444 V 10.71548117 0.00836356 42.79569867 -0.00000044 0.00000427 -0.00000463 V 12.85878468 1.52390806 42.79569866 -0.00000036 0.00000418 -0.00000467 V 8.57216776 3.03973949 15.08269374 0.00000146 -0.00000835 0.00000439 V 10.71547129 4.55528395 15.08269376 0.00000149 -0.00000839 0.00000425 V 10.71548094 3.03972231 17.13521611 0.00000008 -0.00000687 0.00000449 V -0.00103659 4.55526677 17.13521613 -0.00000073 -0.00000677 0.00000410 V -0.00103573 3.03970418 19.29743271 -0.00000103 -0.00000597 0.00000338 V 2.14226763 4.55524862 19.29743266 0.00000048 -0.00000537 0.00000394 V 2.14226872 3.03968038 21.43699310 -0.00000231 -0.00000576 0.00000287 V 4.28557200 4.55522464 21.43699316 0.00000012 -0.00000381 0.00000222 V 4.28557227 3.03965174 23.58105003 0.00000065 -0.00000460 0.00000502 V 6.42887610 4.55519582 23.58105047 -0.00000220 -0.00000129 0.00000102 V 6.42887582 3.03962028 25.72420804 -0.00000118 -0.00000243 0.00000236 V 8.57217915 4.55516422 25.72420796 0.00000071 0.00000225 0.00000357 V 8.57217905 3.03958817 27.86754768 -0.00000419 -0.00000045 -0.00000037 V 10.71548211 4.55513208 27.86754758 0.00000015 0.00000478 0.00000074 V 10.71548118 3.03955733 30.01084367 0.00000047 0.00000114 0.00000325 V -0.00103618 4.55510139 30.01084419 -0.00000197 0.00000493 -0.00000227 V -0.00103737 3.03952919 32.15418324 -0.00000017 0.00000319 0.00000087 V 2.14226603 4.55507347 32.15418316 0.00000112 0.00000475 0.00000111 V 2.14226551 3.03950500 34.29734148 -0.00000283 0.00000487 -0.00000326 V 4.28556871 4.55504934 34.29734124 0.00000014 0.00000597 -0.00000102 V 4.28556810 3.03948564 36.44139871 -0.00000045 0.00000473 -0.00000171 V 6.42887165 4.55502993 36.44139899 -0.00000094 0.00000672 -0.00000420 V 6.42887122 3.03947127 38.58095936 0.00000014 0.00000393 -0.00000267 V 8.57217468 4.55501560 38.58095943 0.00000096 0.00000539 -0.00000324 V 8.57217470 3.03946128 40.74317618 0.00000020 0.00000395 -0.00000443 V 10.71547825 4.55500571 40.74317621 0.00000015 0.00000418 -0.00000444 V 10.71548119 3.03945248 42.79569867 -0.00000048 0.00000424 -0.00000461 V 12.85878470 4.55499696 42.79569867 -0.00000039 0.00000420 -0.00000476 V 8.57216778 6.07082842 15.08269376 0.00000142 -0.00000839 0.00000426 V 10.71547130 7.58637285 15.08269377 0.00000147 -0.00000836 0.00000419 V 10.71548093 6.07081124 17.13521610 0.00000030 -0.00000709 0.00000462 V -0.00103660 7.58635571 17.13521615 -0.00000065 -0.00000704 0.00000392 V -0.00103572 6.07079311 19.29743264 -0.00000103 -0.00000605 0.00000415 V 2.14226759 7.58633760 19.29743265 0.00000089 -0.00000610 0.00000396 V 2.14226881 6.07076911 21.43699296 -0.00000316 -0.00000414 0.00000413 V 4.28557197 7.58631368 21.43699317 0.00000039 -0.00000519 0.00000220 V 4.28557238 6.07074038 23.58104988 -0.00000038 -0.00000204 0.00000642 V 6.42887616 7.58628497 23.58105051 -0.00000270 -0.00000366 0.00000060 V 6.42887583 6.07070905 25.72420792 -0.00000130 -0.00000109 0.00000339 V 8.57217921 7.58625358 25.72420801 0.00000017 -0.00000213 0.00000308 V 8.57217901 6.07067710 27.86754766 -0.00000380 -0.00000054 -0.00000020 V 10.71548211 7.58622158 27.86754754 0.00000020 -0.00000086 0.00000109 V 10.71548122 6.07064624 30.01084380 0.00000019 0.00000118 0.00000204 V -0.00103618 7.58619067 30.01084413 -0.00000194 0.00000126 -0.00000169 V -0.00103734 6.07061813 32.15418338 -0.00000038 0.00000287 -0.00000048 V 2.14226610 7.58616249 32.15418317 0.00000052 0.00000350 0.00000099 V 2.14226540 6.07059412 34.29734153 -0.00000182 0.00000292 -0.00000372 V 4.28556874 7.58613844 34.29734127 -0.00000011 0.00000415 -0.00000126 V 4.28556794 6.07057481 36.44139875 0.00000095 0.00000238 -0.00000207 V 6.42887158 7.58611919 36.44139897 -0.00000033 0.00000352 -0.00000402 V 6.42887120 6.07056028 38.58095946 0.00000026 0.00000298 -0.00000358 V 8.57217462 7.58610471 38.58095940 0.00000149 0.00000359 -0.00000298 V 8.57217473 6.07055019 40.74317623 -0.00000007 0.00000395 -0.00000488 V 10.71547825 7.58609461 40.74317621 0.00000017 0.00000422 -0.00000442 V 10.71548118 6.07054138 42.79569866 -0.00000047 0.00000425 -0.00000459 V 12.85878469 7.58608587 42.79569866 -0.00000037 0.00000426 -0.00000473