612 Lattice="16.63894592851606 0.0 0.0 -8.31947296425803 14.40974986629056 0.0 0.0 0.0 38.4926536391449" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3557.8768724805586 stress="58.47170965774563 0.004485514031420251 -0.008914964766219224 0.004485514031420251 58.43461655015267 -0.03686752867141818 -0.008914964766219224 -0.03686752867141818 0.00025994568398468587" pbc="T T F" Pt 0.00396023 0.00401602 0.05901287 -0.00000192 -0.00000769 -0.00000025 Pt 2.77711789 0.00401602 0.05901288 -0.00000190 -0.00000769 -0.00000047 Pt 1.39053906 2.40564099 0.05901287 -0.00000191 -0.00000765 -0.00000027 Pt -1.38261860 2.40564099 0.05901287 -0.00000190 -0.00000768 -0.00000025 Pt 2.77711611 1.60509200 2.25978729 -0.00000189 -0.00000738 0.00000072 Pt 5.55027376 1.60509199 2.25978729 -0.00000173 -0.00000735 0.00000064 Pt 4.16369493 4.00671698 2.25978730 -0.00000176 -0.00000749 0.00000055 Pt 1.39053728 4.00671698 2.25978730 -0.00000184 -0.00000752 0.00000050 Pt 5.55026931 3.20615695 4.53378197 -0.00000170 -0.00000695 -0.00000021 Pt 8.32342697 3.20615695 4.53378197 -0.00000168 -0.00000697 -0.00000016 Pt 6.93684814 5.60778192 4.53378197 -0.00000171 -0.00000693 -0.00000009 Pt 4.16369048 5.60778193 4.53378197 -0.00000166 -0.00000695 -0.00000016 Pt 8.32342072 4.80721444 6.79665209 -0.00000149 -0.00000614 0.00000015 Pt 11.09657837 4.80721445 6.79665210 -0.00000147 -0.00000619 0.00000009 Pt 9.70999955 7.20883942 6.79665209 -0.00000153 -0.00000618 0.00000013 Pt 6.93684189 7.20883942 6.79665210 -0.00000145 -0.00000618 0.00000011 Pt 11.09657035 6.40826456 9.06113052 -0.00000128 -0.00000519 0.00000005 Pt -2.76921793 6.40826456 9.06113053 -0.00000123 -0.00000524 -0.00000002 Pt -4.15579675 8.80988954 9.06113052 -0.00000129 -0.00000517 0.00000002 Pt 9.70999151 8.80988954 9.06113053 -0.00000121 -0.00000520 0.00000000 Pt -2.76922742 8.00930860 11.32537459 -0.00000097 -0.00000403 0.00000008 Pt 0.00393023 8.00930860 11.32537459 -0.00000098 -0.00000410 0.00000001 Pt -1.38264859 10.41093358 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9.70990461 7.20844701 27.17526936 0.00000130 0.00000520 -0.00000004 Pt 6.93674696 7.20844701 27.17526936 0.00000124 0.00000518 -0.00000002 Pt 11.09647541 6.40787215 29.43974778 0.00000151 0.00000618 -0.00000011 Pt -2.76931286 6.40787215 29.43974778 0.00000148 0.00000619 -0.00000008 Pt -4.15589169 8.80949713 29.43974778 0.00000151 0.00000616 -0.00000007 Pt 9.70989659 8.80949713 29.43974778 0.00000149 0.00000619 -0.00000007 Pt -2.76931909 8.00892965 31.70261792 0.00000168 0.00000692 0.00000003 Pt 0.00383856 8.00892965 31.70261791 0.00000168 0.00000695 0.00000006 Pt -1.38274027 10.41055463 31.70261792 0.00000171 0.00000695 -0.00000001 Pt -4.15589792 10.41055463 31.70261792 0.00000168 0.00000693 0.00000004 Pt 0.00383412 9.60999460 33.97661256 0.00000198 0.00000749 -0.00000024 Pt 2.77699180 9.60999460 33.97661256 0.00000168 0.00000747 -0.00000013 Pt 1.39041296 12.01161958 33.97661257 0.00000180 0.00000735 -0.00000034 Pt -1.38274469 12.01161957 33.97661257 0.00000180 0.00000751 -0.00000030 Pt 2.77699002 11.21107059 36.17738702 0.00000187 0.00000763 0.00000005 Pt 5.55014768 11.21107059 36.17738703 0.00000190 0.00000766 -0.00000002 Pt 4.16356885 13.61269557 36.17738702 0.00000191 0.00000763 0.00000012 Pt 1.39041120 13.61269556 36.17738701 0.00000185 0.00000764 0.00000025 Pt -2.76919743 4.80726597 0.05901286 -0.00000189 -0.00000768 -0.00000014 Pt 0.00396023 4.80726597 0.05901286 -0.00000189 -0.00000766 -0.00000017 Pt -1.38261860 7.20889095 0.05901286 -0.00000187 -0.00000774 -0.00000009 Pt -4.15577626 7.20889095 0.05901286 -0.00000188 -0.00000775 -0.00000014 Pt 0.00395846 6.40834196 2.25978731 -0.00000191 -0.00000747 0.00000039 Pt 2.77711610 6.40834195 2.25978730 -0.00000177 -0.00000740 0.00000044 Pt 1.39053727 8.80996694 2.25978730 -0.00000172 -0.00000750 0.00000049 Pt -1.38262037 8.80996695 2.25978730 -0.00000185 -0.00000764 0.00000050 Pt 2.77711166 8.00940690 4.53378197 -0.00000170 -0.00000693 -0.00000015 Pt 5.55026931 8.00940690 4.53378197 -0.00000166 -0.00000695 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-0.00000092 -0.00000405 0.00000001 Pt 5.55023490 0.00384796 13.58965278 -0.00000071 -0.00000277 0.00000006 Pt 8.32339255 0.00384796 13.58965278 -0.00000065 -0.00000281 -0.00000002 Pt 6.93681373 2.40547294 13.58965278 -0.00000071 -0.00000276 0.00000002 Pt 4.16365607 2.40547294 13.58965278 -0.00000064 -0.00000280 0.00000001 Pt 8.32338111 1.60488397 15.85392600 -0.00000033 -0.00000139 0.00000004 Pt 11.09653877 1.60488397 15.85392600 -0.00000037 -0.00000144 -0.00000000 Pt 9.70995994 4.00650895 15.85392600 -0.00000040 -0.00000142 0.00000004 Pt 6.93680228 4.00650895 15.85392600 -0.00000030 -0.00000140 0.00000001 Pt 11.09652692 3.20591832 18.11819994 -0.00000003 0.00000002 0.00000001 Pt 13.86968457 3.20591832 18.11819994 0.00000002 0.00000001 -0.00000003 Pt 12.48310575 5.60754330 18.11819994 -0.00000002 0.00000000 -0.00000002 Pt 9.70994809 5.60754330 18.11819994 0.00000000 -0.00000003 0.00000000 Pt -2.76927321 4.80695267 20.38247387 0.00000036 0.00000143 -0.00000001 Pt 0.00388445 4.80695267 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0.00000006 Pt 5.55023489 4.80709792 13.58965278 -0.00000064 -0.00000281 -0.00000002 Pt 4.16365607 7.20872289 13.58965278 -0.00000071 -0.00000276 0.00000001 Pt 1.39049841 7.20872290 13.58965278 -0.00000064 -0.00000279 0.00000001 Pt 5.55022346 6.40813393 15.85392600 -0.00000033 -0.00000139 0.00000004 Pt 8.32338111 6.40813393 15.85392601 -0.00000036 -0.00000144 -0.00000001 Pt 6.93680229 8.80975891 15.85392600 -0.00000040 -0.00000142 0.00000004 Pt 4.16364463 8.80975890 15.85392600 -0.00000030 -0.00000140 0.00000001 Pt 8.32336927 8.00916828 18.11819994 -0.00000004 0.00000002 0.00000001 Pt 11.09652692 8.00916828 18.11819994 0.00000002 0.00000000 -0.00000004 Pt 9.70994810 10.41079326 18.11819994 -0.00000002 0.00000001 -0.00000002 Pt 6.93679044 10.41079326 18.11819994 0.00000000 -0.00000003 -0.00000000 Pt -5.54243086 9.61020263 20.38247388 0.00000036 0.00000143 -0.00000000 Pt -2.76927320 9.61020263 20.38247388 0.00000031 0.00000141 -0.00000001 Pt -4.15585203 12.01182761 20.38247387 0.00000032 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0.00000004 Pt -2.76924950 6.40813393 15.85392601 -0.00000036 -0.00000144 -0.00000000 Pt -4.15582833 8.80975890 15.85392600 -0.00000040 -0.00000142 0.00000004 Pt 9.70995994 8.80975890 15.85392601 -0.00000030 -0.00000140 0.00000000 Pt -2.76926135 8.00916828 18.11819994 -0.00000004 0.00000001 0.00000001 Pt 0.00389630 8.00916828 18.11819994 0.00000002 0.00000000 -0.00000003 Pt -1.38268252 10.41079326 18.11819994 -0.00000002 0.00000001 -0.00000002 Pt -4.15584018 10.41079326 18.11819994 0.00000000 -0.00000003 -0.00000001 Pt 0.00388445 9.61020263 20.38247387 0.00000036 0.00000143 -0.00000001 Pt 2.77704210 9.61020263 20.38247387 0.00000031 0.00000141 -0.00000001 Pt 1.39046328 12.01182761 20.38247387 0.00000032 0.00000139 0.00000002 Pt -1.38269438 12.01182761 20.38247387 0.00000035 0.00000142 -0.00000000 Pt 2.77703064 11.21123864 22.64674710 0.00000065 0.00000279 -0.00000004 Pt 5.55018830 11.21123864 22.64674710 0.00000070 0.00000281 -0.00000004 Pt 4.16360947 13.61286362 22.64674710 0.00000069 0.00000277 -0.00000004 Pt 1.39045182 13.61286362 22.64674710 0.00000066 0.00000275 -0.00000002 Pt 5.55017763 12.81227791 24.91102529 0.00000102 0.00000407 -0.00000005 Pt 8.32333529 12.81227791 24.91102529 0.00000096 0.00000407 -0.00000002 Pt 15.25622942 0.80415302 24.91102529 0.00000099 0.00000403 -0.00000000 Pt 12.48307177 0.80415302 24.91102529 0.00000099 0.00000407 -0.00000001 Pt 0.00385282 0.00357208 27.17526936 0.00000125 0.00000520 -0.00000005 Pt 2.77701047 0.00357208 27.17526936 0.00000129 0.00000524 -0.00000003 Pt 1.39043164 2.40519706 27.17526936 0.00000130 0.00000520 -0.00000004 Pt -1.38272601 2.40519706 27.17526936 0.00000124 0.00000518 -0.00000002 Pt 2.77700245 1.60462220 29.43974779 0.00000151 0.00000616 -0.00000012 Pt 5.55016010 1.60462219 29.43974778 0.00000148 0.00000620 -0.00000008 Pt 4.16358127 4.00624717 29.43974778 0.00000153 0.00000617 -0.00000008 Pt 1.39042362 4.00624717 29.43974778 0.00000148 0.00000619 -0.00000010 Pt 5.55015387 3.20567970 31.70261791 0.00000167 0.00000691 0.00000007 Pt 8.32331153 3.20567970 31.70261791 0.00000169 0.00000693 0.00000016 Pt 6.93673270 5.60730468 31.70261791 0.00000170 0.00000690 0.00000006 Pt 4.16357505 5.60730468 31.70261791 0.00000165 0.00000690 0.00000006 Pt 8.32330711 4.80674464 33.97661257 0.00000177 0.00000745 -0.00000036 Pt 11.09646476 4.80674464 33.97661257 0.00000180 0.00000747 -0.00000038 Pt 9.70988593 7.20836962 33.97661256 0.00000182 0.00000754 -0.00000014 Pt 6.93672828 7.20836962 33.97661255 0.00000173 0.00000752 -0.00000007 Pt 11.09646299 6.40782062 36.17738702 0.00000185 0.00000777 0.00000007 Pt -2.76932528 6.40782063 36.17738702 0.00000183 0.00000774 0.00000010 Pt -4.15590411 8.80944561 36.17738703 0.00000181 0.00000771 -0.00000009 Pt 9.70988416 8.80944561 36.17738703 0.00000184 0.00000772 -0.00000009 Pt 11.09659085 0.00401601 0.05901287 -0.00000183 -0.00000765 -0.00000021 Pt 13.86974851 0.00401602 0.05901287 -0.00000189 -0.00000767 -0.00000022 Pt 12.48316968 2.40564099 0.05901286 -0.00000189 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0.00000001 Pt 5.55021161 8.00916828 18.11819994 0.00000002 0.00000000 -0.00000004 Pt 4.16363279 10.41079326 18.11819994 -0.00000002 0.00000001 -0.00000002 Pt 1.39047513 10.41079326 18.11819994 -0.00000000 -0.00000003 -0.00000000 Pt 5.55019976 9.61020263 20.38247387 0.00000036 0.00000143 -0.00000000 Pt 8.32335741 9.61020263 20.38247388 0.00000031 0.00000140 -0.00000001 Pt 6.93677858 12.01182761 20.38247387 0.00000032 0.00000139 0.00000002 Pt 4.16362093 12.01182761 20.38247387 0.00000036 0.00000143 0.00000000 Pt 8.32334595 11.21123864 22.64674710 0.00000065 0.00000279 -0.00000004 Pt -5.54244232 11.21123864 22.64674710 0.00000070 0.00000281 -0.00000004 Pt -6.92902115 13.61286362 22.64674710 0.00000069 0.00000278 -0.00000004 Pt 6.93676713 13.61286362 22.64674710 0.00000066 0.00000275 -0.00000002 Pt -5.54245299 12.81227791 24.91102529 0.00000102 0.00000406 -0.00000005 Pt -2.76929533 12.81227791 24.91102529 0.00000096 0.00000407 -0.00000001 Pt 4.16359880 0.80415302 24.91102529 0.00000099 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0.00000746 -0.00000040 Pt 0.00383414 4.80674464 33.97661257 0.00000179 0.00000752 -0.00000035 Pt -1.38274469 7.20836962 33.97661257 0.00000182 0.00000740 -0.00000030 Pt -4.15590234 7.20836961 33.97661256 0.00000178 0.00000759 -0.00000018 Pt 0.00383237 6.40782063 36.17738702 0.00000187 0.00000772 0.00000008 Pt 2.77699003 6.40782063 36.17738702 0.00000186 0.00000775 0.00000011 Pt 1.39041120 8.80944561 36.17738703 0.00000188 0.00000771 -0.00000004 Pt -1.38274646 8.80944561 36.17738702 0.00000184 0.00000771 0.00000013