612 Lattice="16.505381937584563 0.0 0.0 -8.252690968792281 14.294080057113051 0.0 0.0 0.0 38.183665770341435" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2348.2980752710278 stress="66.91117311438131 0.008803361885832528 -0.005892775895620872 0.008803361885832528 66.85436896549191 -0.03138015975932973 -0.005892775895620872 -0.03138015975932973 -2.6275425526023355e-05" pbc="T T F" Pd 0.00400105 0.00411491 0.05728591 -0.00000181 -0.00000649 0.00000083 Pd 2.75489801 0.00411484 0.05728604 -0.00000092 -0.00000635 0.00000038 Pd 1.37944948 2.38646158 0.05728599 -0.00000155 -0.00000653 -0.00000003 Pd -1.37144757 2.38646161 0.05728615 -0.00000156 -0.00000669 0.00000076 Pd 2.75489650 1.59233941 2.25310185 0.00000063 -0.00000717 -0.00000045 Pd 5.50579367 1.59233938 2.25310193 -0.00000297 -0.00000700 -0.00000030 Pd 4.13034510 3.97468603 2.25310171 -0.00000114 -0.00000667 0.00000075 Pd 1.37944807 3.97468590 2.25310200 -0.00000123 -0.00000445 -0.00000101 Pd 5.50579084 3.18055455 4.49559918 -0.00000410 -0.00000545 0.00000124 Pd 8.25668741 3.18055472 4.49559946 0.00000108 -0.00000595 0.00000115 Pd 6.88123922 5.56290128 4.49559940 -0.00000169 -0.00000470 -0.00000113 Pd 4.13034223 5.56290128 4.49559910 -0.00000114 -0.00000741 0.00000112 Pd 8.25668318 4.76876201 6.74225543 0.00000144 -0.00000582 -0.00000046 Pd 11.00758043 4.76876214 6.74225572 -0.00000451 -0.00000563 -0.00000023 Pd 9.63213171 7.15110874 6.74225558 -0.00000114 -0.00000621 -0.00000005 Pd 6.88123479 7.15110854 6.74225511 -0.00000080 -0.00000315 -0.00000158 Pd 11.00756426 6.35694509 8.98838738 -0.00000406 -0.00000441 0.00000117 Pd -2.74692032 6.35694509 8.98838732 0.00000173 -0.00000418 0.00000021 Pd -4.12237071 8.73929153 8.98838790 -0.00000005 -0.00000322 -0.00000106 Pd 9.63211450 8.73929177 8.98838680 -0.00000171 -0.00000595 0.00000137 Pd -2.74694115 7.94511406 11.23448587 0.00000003 -0.00000301 -0.00000009 Pd 0.00395718 7.94511390 11.23448530 -0.00000032 -0.00000517 -0.00000236 Pd -1.37149162 10.32746022 11.23448600 -0.00000127 -0.00000458 0.00000071 Pd -4.12238895 10.32746055 11.23448547 0.00000029 -0.00000017 -0.00000198 Pd 0.00393724 9.53327874 13.48058834 -0.00000311 -0.00000047 0.00000017 Pd 2.75483642 9.53327780 13.48058654 0.00000403 -0.00000280 0.00000051 Pd 1.37938858 11.91562412 13.48058792 -0.00000131 -0.00000167 -0.00000191 Pd -1.37150924 11.91562559 13.48058823 -0.00000180 -0.00000527 0.00000214 Pd 2.75481620 11.12143974 15.72669031 0.00000508 -0.00000177 -0.00000128 Pd 5.50571546 11.12143919 15.72668923 -0.00000487 -0.00000220 -0.00000092 Pd 4.13026480 13.50378566 15.72669004 -0.00000158 -0.00000097 0.00000141 Pd 1.37936725 13.50378609 15.72669103 -0.00000162 0.00000177 -0.00000150 Pd 5.50569165 12.70959942 17.97279259 -0.00000256 0.00000076 0.00000163 Pd 8.25658826 12.70959959 17.97279284 0.00000161 0.00000161 0.00000183 Pd 15.13382927 0.79786640 17.97279285 0.00000010 0.00000083 -0.00000008 Pd 12.38293232 0.79786607 17.97279331 -0.00000066 -0.00000182 0.00000214 Pd 8.25656562 14.29776006 20.21889640 0.00000313 0.00000043 -0.00000063 Pd -5.49792074 14.29776108 20.21889779 -0.00000409 0.00000004 0.00000040 Pd 1.37932359 2.38602773 20.21889654 0.00000244 -0.00000032 0.00000033 Pd 15.13380963 2.38602651 20.21889618 0.00000013 0.00000283 -0.00000040 Pd 2.75475144 1.59184259 22.46500093 -0.00000538 0.00000388 0.00000115 Pd 5.50564669 1.59184336 22.46500162 0.00000627 0.00000236 -0.00000075 Pd 4.13020003 3.97419026 22.46500062 -0.00000122 0.00000391 -0.00000002 Pd 1.37930404 3.97418972 22.46499965 0.00000249 -0.00000127 0.00000034 Pd 5.50562557 3.18000866 24.71110423 0.00000470 0.00000252 -0.00000158 Pd 8.25652295 3.18000865 24.71110402 -0.00000277 0.00000213 -0.00000142 Pd 6.88107445 5.56235545 24.71110350 -0.00000007 0.00000243 0.00000098 Pd 4.13017762 5.56235527 24.71110346 0.00000113 0.00000574 -0.00000201 Pd 8.25650760 4.76817665 26.95720108 -0.00000219 0.00000411 0.00000126 Pd 11.00740427 4.76817634 26.95720103 0.00000567 0.00000584 -0.00000021 Pd 9.63195583 7.15052306 26.95720118 0.00000204 0.00000609 -0.00000163 Pd 6.88105893 7.15052345 26.95720081 0.00000013 0.00000180 0.00000171 Pd 11.00738823 6.35635936 29.20333251 0.00000486 0.00000439 -0.00000160 Pd -2.74709610 6.35635910 29.20333220 -0.00000234 0.00000446 -0.00000079 Pd -4.12254503 8.73870587 29.20333238 0.00000122 0.00000416 0.00000047 Pd 9.63193961 8.73870586 29.20333268 0.00000231 0.00000804 -0.00000220 Pd -2.74710060 7.94456629 31.44998809 -0.00000126 0.00000654 0.00000113 Pd 0.00379615 7.94456621 31.44998812 0.00000334 0.00000671 0.00000083 Pd -1.37165204 10.32691281 31.44998826 0.00000106 0.00000714 -0.00000106 Pd -4.12254916 10.32691314 31.44998820 0.00000066 0.00000417 0.00000125 Pd 0.00379323 9.53278167 33.69248580 0.00000254 0.00000548 -0.00000075 Pd 2.75469035 9.53278172 33.69248586 -0.00000044 0.00000529 -0.00000069 Pd 1.37924192 11.91512826 33.69248579 0.00000056 0.00000679 -0.00000038 Pd -1.37165510 11.91512814 33.69248575 0.00000133 0.00000868 -0.00000104 Pd 2.75468880 11.12100621 35.88830172 0.00000125 0.00000641 0.00000025 Pd 5.50558575 11.12100623 35.88830166 0.00000189 0.00000661 0.00000036 Pd 4.13013721 13.50335288 35.88830168 0.00000153 0.00000672 -0.00000055 Pd 1.37924027 13.50335288 35.88830163 0.00000161 0.00000622 0.00000002 Pd -2.74689608 4.76880825 0.05728647 -0.00000182 -0.00000643 0.00000006 Pd 0.00400084 4.76880821 0.05728625 -0.00000092 -0.00000637 0.00000046 Pd -1.37144762 7.15115488 0.05728648 -0.00000125 -0.00000618 -0.00000034 Pd -4.12234456 7.15115498 0.05728649 -0.00000134 -0.00000674 0.00000014 Pd 0.00399952 6.35703275 2.25310222 0.00000047 -0.00000695 -0.00000025 Pd 2.75489672 6.35703275 2.25310191 -0.00000298 -0.00000727 -0.00000023 Pd 1.37944813 8.73937943 2.25310212 -0.00000120 -0.00000668 0.00000061 Pd -1.37144880 8.73937935 2.25310243 -0.00000166 -0.00000524 -0.00000067 Pd 2.75489382 7.94524797 4.49559925 -0.00000382 -0.00000582 0.00000090 Pd 5.50579057 7.94524803 4.49559906 0.00000111 -0.00000587 0.00000049 Pd 4.13034179 10.32759469 4.49559924 -0.00000095 -0.00000468 -0.00000041 Pd 1.37944475 10.32759471 4.49559977 -0.00000065 -0.00000733 0.00000063 Pd 5.50578565 9.53345552 6.74225477 0.00000240 -0.00000608 -0.00000053 Pd 8.25668292 9.53345547 6.74225505 -0.00000346 -0.00000563 -0.00000043 Pd 6.88123408 11.91580233 6.74225479 -0.00000080 -0.00000643 0.00000055 Pd 4.13033695 11.91580197 6.74225528 -0.00000070 -0.00000323 -0.00000170 Pd 8.25666631 11.12163876 8.98838596 -0.00000396 -0.00000452 0.00000067 Pd -5.49781910 11.12163848 8.98838659 0.00000227 -0.00000381 0.00000026 Pd -6.87326683 13.50398534 8.98838645 -0.00000037 -0.00000296 -0.00000191 Pd 6.88121806 13.50398545 8.98838622 -0.00000104 -0.00000579 0.00000203 Pd -5.49783413 12.70980755 11.23448369 0.00000410 -0.00000373 0.00000017 Pd -2.74693665 12.70980671 11.23448476 -0.00000439 -0.00000455 -0.00000069 Pd 4.13030694 0.79807330 11.23448397 -0.00000270 -0.00000448 0.00000252 Pd 1.37940953 0.79807390 11.23448406 -0.00000127 -0.00000155 -0.00000145 Pd 5.50573387 0.00389211 13.48058777 -0.00000498 -0.00000225 0.00000097 Pd 0.00393998 14.29797083 13.48058787 0.00000213 -0.00000039 0.00000010 Pd 6.88118157 2.38623741 13.48058794 0.00000061 -0.00000059 -0.00000173 Pd 4.13028428 2.38623898 13.48058741 -0.00000025 -0.00000635 0.00000197 Pd 8.25660768 1.59205268 15.72669143 0.00000318 -0.00000087 -0.00000077 Pd 11.00750538 1.59205236 15.72669092 -0.00000307 -0.00000186 -0.00000093 Pd 9.63205427 3.97439879 15.72669130 0.00000185 -0.00000196 0.00000017 Pd 6.88115729 3.97439913 15.72669138 0.00000186 0.00000236 -0.00000225 Pd 11.00748216 3.18021221 17.97279453 -0.00000268 0.00000146 0.00000156 Pd 13.75837891 3.18021303 17.97279408 0.00000221 0.00000085 0.00000071 Pd 12.38293359 5.56255921 17.97279450 0.00000276 0.00000116 -0.00000260 Pd 9.63203731 5.56255885 17.97279414 -0.00000199 -0.00000163 0.00000185 Pd -2.74701946 4.76837314 20.21889719 0.00000486 0.00000004 -0.00000198 Pd 0.00387771 4.76837429 20.21889650 -0.00000306 -0.00000022 -0.00000024 Pd -1.37157028 7.15072076 20.21889679 -0.00000075 -0.00000037 0.00000071 Pd -4.12246695 7.15071953 20.21889734 -0.00000136 0.00000491 -0.00000131 Pd 0.00385517 6.35653611 22.46499977 -0.00000343 0.00000317 0.00000189 Pd 2.75475135 6.35653688 22.46499974 0.00000407 0.00000348 0.00000151 Pd 1.37930244 8.73888336 22.46499986 0.00000064 0.00000389 -0.00000041 Pd -1.37159435 8.73888278 22.46500033 -0.00000103 -0.00000003 0.00000178 Pd 2.75472874 7.94470193 24.71110314 0.00000377 0.00000343 -0.00000142 Pd 5.50562587 7.94470217 24.71110313 -0.00000238 0.00000148 -0.00000038 Pd 4.13017715 10.32704872 24.71110295 -0.00000015 0.00000296 0.00000056 Pd 1.37928024 10.32704837 24.71110307 0.00000204 0.00000667 -0.00000135 Pd 5.50561053 9.53286983 26.95720058 -0.00000249 0.00000522 0.00000170 Pd 8.25650707 9.53286970 26.95720093 0.00000438 0.00000554 0.00000081 Pd 6.88105878 11.91521629 26.95720076 0.00000127 0.00000601 -0.00000090 Pd 4.13016202 11.91521671 26.95720030 0.00000039 0.00000207 0.00000195 Pd 8.25649097 11.12105272 29.20333248 0.00000494 0.00000433 -0.00000114 Pd -5.49799339 11.12105258 29.20333270 -0.00000221 0.00000407 -0.00000121 Pd -6.87344207 13.50339921 29.20333250 0.00000072 0.00000454 0.00000046 Pd 6.88104281 13.50339911 29.20333225 0.00000153 0.00000801 -0.00000182 Pd -5.49799755 12.70925973 31.44998829 -0.00000138 0.00000642 0.00000155 Pd -2.74710056 12.70925953 31.44998825 0.00000273 0.00000722 0.00000131 Pd 4.13014191 0.79752625 31.44998845 0.00000139 0.00000699 -0.00000057 Pd 1.37924488 0.79752650 31.44998820 0.00000032 0.00000435 0.00000141 Pd 5.50558724 0.00339497 33.69248582 0.00000239 0.00000549 -0.00000109 Pd 8.25648440 0.00339496 33.69248575 -0.00000020 0.00000515 -0.00000069 Pd 6.88103574 2.38574161 33.69248575 0.00000077 0.00000670 -0.00000010 Pd 4.13013870 2.38574153 33.69248583 0.00000118 0.00000861 -0.00000112 Pd 8.25648265 1.59161944 35.88830146 0.00000132 0.00000678 0.00000087 Pd 11.00737954 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6.88123896 0.79820799 4.49559950 -0.00000107 -0.00000738 0.00000127 Pd 11.00757952 0.00406865 6.74225570 0.00000194 -0.00000570 -0.00000115 Pd 13.75847690 0.00406880 6.74225527 -0.00000419 -0.00000562 -0.00000079 Pd 12.38302842 2.38641548 6.74225564 -0.00000090 -0.00000639 -0.00000021 Pd 9.63213158 2.38641523 6.74225571 -0.00000091 -0.00000311 -0.00000195 Pd 13.75846097 1.59225187 8.98838671 -0.00000290 -0.00000389 0.00000132 Pd 0.00397577 1.59225200 8.98838671 0.00000258 -0.00000480 0.00000060 Pd -1.37147185 3.97459854 8.98838703 -0.00000305 -0.00000253 0.00000022 Pd 12.38301267 3.97459863 8.98838707 -0.00000052 -0.00000586 0.00000148 Pd 0.00396055 3.18042070 11.23448448 0.00000119 -0.00000406 -0.00000098 Pd 2.75485811 3.18041994 11.23448427 -0.00000355 -0.00000363 -0.00000140 Pd 1.37940843 5.56276701 11.23448419 -0.00000150 -0.00000421 0.00000094 Pd -1.37148937 5.56276751 11.23448491 -0.00000230 -0.00000144 -0.00000122 Pd 2.75483465 4.76858542 13.48058722 -0.00000460 -0.00000093 0.00000122 Pd 5.50573153 4.76858411 13.48058749 0.00000387 -0.00000150 0.00000067 Pd 4.13028299 7.15093095 13.48058681 -0.00000113 -0.00000042 -0.00000026 Pd 1.37938494 7.15093259 13.48058708 0.00000184 -0.00000611 0.00000034 Pd 5.50570953 6.35674640 15.72669043 0.00000073 -0.00000041 0.00000179 Pd 8.25660644 6.35674569 15.72669149 -0.00000192 -0.00000228 -0.00000205 Pd 6.88116297 8.73909270 15.72668941 -0.00000234 -0.00000283 0.00000195 Pd 4.13026524 8.73909317 15.72668934 0.00000225 0.00000131 -0.00000212 Pd 8.25659152 7.94490571 17.97279353 -0.00000502 0.00000114 0.00000117 Pd 11.00748776 7.94490587 17.97279432 0.00000202 0.00000113 0.00000102 Pd 9.63203878 10.32725266 17.97279347 -0.00000002 0.00000270 -0.00000066 Pd 6.88114210 10.32725293 17.97279249 0.00000107 -0.00000294 0.00000110 Pd 11.00746372 9.53306661 20.21889760 0.00000513 0.00000051 -0.00000077 Pd -2.74702081 9.53306761 20.21889785 -0.00000513 -0.00000041 -0.00000160 Pd -4.12247163 11.91541451 20.21889790 0.00000225 -0.00000173 0.00000037 Pd 9.63201394 11.91541307 20.21889724 0.00000321 0.00000380 -0.00000273 Pd -2.74704337 11.12122927 22.46500081 -0.00000382 0.00000364 0.00000146 Pd 0.00385315 11.12122994 22.46500032 0.00000359 0.00000410 0.00000014 Pd -1.37159548 13.50357657 22.46500105 -0.00000017 0.00000418 -0.00000118 Pd -4.12249210 13.50357600 22.46500118 -0.00000093 0.00000009 0.00000205 Pd 0.00383167 12.70939513 24.71110346 0.00000356 0.00000386 -0.00000074 Pd 2.75472915 12.70939543 24.71110278 -0.00000288 0.00000222 -0.00000072 Pd 9.63197119 0.79766193 24.71110347 0.00000006 0.00000225 0.00000106 Pd 6.88107402 0.79766157 24.71110431 0.00000173 0.00000672 -0.00000309 Pd 11.00740480 0.00348311 26.95720045 -0.00000341 0.00000529 0.00000176 Pd 13.75830131 0.00348298 26.95720035 0.00000426 0.00000544 0.00000073 Pd 12.38285309 2.38582958 26.95720064 0.00000195 0.00000612 -0.00000133 Pd 9.63195615 2.38583003 26.95720087 -0.00000056 0.00000119 0.00000237 Pd 13.75828542 1.59166588 29.20333203 0.00000351 0.00000461 -0.00000090 Pd 0.00380071 1.59166578 29.20333224 -0.00000147 0.00000459 -0.00000076 Pd -1.37164764 3.97401235 29.20333196 0.00000051 0.00000542 0.00000050 Pd 12.38283722 3.97401242 29.20333221 0.00000098 0.00000794 -0.00000174 Pd 0.00379647 3.17987302 31.44998809 -0.00000093 0.00000653 0.00000130 Pd 2.75469332 3.17987303 31.44998830 0.00000266 0.00000649 0.00000097 Pd 1.37924474 5.56221963 31.44998823 0.00000118 0.00000682 -0.00000075 Pd -1.37165224 5.56221976 31.44998806 0.00000098 0.00000425 0.00000074 Pd 2.75468994 4.76808841 33.69248580 0.00000292 0.00000535 -0.00000051 Pd 5.50558710 4.76808839 33.69248582 -0.00000012 0.00000526 -0.00000038 Pd 4.13013866 7.15043500 33.69248581 0.00000102 0.00000666 -0.00000001 Pd 1.37924164 7.15043489 33.69248582 0.00000143 0.00000841 -0.00000117 Pd 5.50558575 6.35631287 35.88830161 0.00000120 0.00000650 0.00000048 Pd 8.25648278 6.35631280 35.88830149 0.00000152 0.00000689 0.00000082 Pd 6.88103433 8.73865955 35.88830164 0.00000135 0.00000655 -0.00000040 Pd 4.13013728 8.73865956 35.88830169 0.00000146 0.00000617 0.00000019 Pd 5.50579497 0.00411485 0.05728621 -0.00000137 -0.00000646 0.00000023 Pd 8.25669191 0.00411490 0.05728637 -0.00000125 -0.00000634 0.00000019 Pd 6.88124339 2.38646160 0.05728620 -0.00000120 -0.00000639 -0.00000064 Pd 4.13034643 2.38646162 0.05728597 -0.00000124 -0.00000716 0.00000021 Pd 8.25669036 1.59233947 2.25310219 0.00000030 -0.00000730 -0.00000059 Pd 11.00758740 1.59233950 2.25310229 -0.00000214 -0.00000672 -0.00000060 Pd 9.63213890 3.97468622 2.25310220 -0.00000051 -0.00000662 -0.00000034 Pd 6.88124208 3.97468604 2.25310194 -0.00000159 -0.00000483 -0.00000113 Pd 11.00758450 3.18055480 4.49559969 -0.00000322 -0.00000601 0.00000084 Pd 13.75848121 3.18055479 4.49559965 0.00000126 -0.00000587 0.00000109 Pd 12.38303304 5.56290143 4.49559986 -0.00000092 -0.00000472 -0.00000059 Pd 9.63213611 5.56290153 4.49559954 -0.00000113 -0.00000712 0.00000138 Pd -2.74690492 4.76876217 6.74225580 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