360 Lattice="11.63622137904 0.0 0.0 0.0 11.63622137904 0.0 0.0 0.0 38.7874045968" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1391.1563539341469 stress="19.51780429580062 2.747390279186999e-07 0.015201723753699823 2.747390279186999e-07 19.517804275744933 0.015315785021422572 0.015201723753699823 0.015315785021422572 -2.891377554936014e-06" pbc="T T F" Pd -0.00097093 0.00624047 0.05691531 0.00000433 0.00000384 -0.00000014 Pd 1.93840143 0.00624235 1.94090016 0.00000490 0.00000466 -0.00000009 Pd -0.00096881 1.94561262 1.94090004 0.00000493 0.00000409 0.00000002 Pd 1.93839927 1.94561070 0.05691532 0.00000443 0.00000375 0.00000011 Pd -0.00096370 0.00624685 3.88400389 0.00000463 0.00000449 0.00000001 Pd 1.93841424 0.00625377 5.82316092 0.00000483 0.00000481 0.00000004 Pd -0.00095599 1.94562401 5.82316092 0.00000461 0.00000477 0.00000005 Pd 1.93840655 1.94561710 3.88400393 0.00000477 0.00000431 -0.00000030 Pd -0.00094559 0.00626343 7.76254292 0.00000466 0.00000531 -0.00000004 Pd 1.93843770 0.00627603 9.70191257 0.00000458 0.00000539 0.00000011 Pd -0.00093252 1.94564628 9.70191261 0.00000443 0.00000511 0.00000006 Pd 1.93842463 1.94563367 7.76254291 0.00000487 0.00000513 0.00000005 Pd -0.00091694 0.00629157 11.64128295 0.00000390 0.00000494 0.00000003 Pd 1.93847108 0.00630983 13.58065327 0.00000304 0.00000401 -0.00000001 Pd -0.00089914 1.94568007 13.58065328 0.00000308 0.00000380 -0.00000003 Pd 1.93845328 1.94566182 11.64128294 0.00000395 0.00000469 0.00000001 Pd -0.00087963 0.00633028 15.52002359 0.00000207 0.00000266 0.00000009 Pd 1.93851125 0.00635218 17.45939395 0.00000047 0.00000101 -0.00000018 Pd -0.00085901 1.94572242 17.45939393 0.00000088 0.00000089 -0.00000013 Pd 1.93849061 1.94570051 15.52002360 0.00000187 0.00000248 0.00000010 Pd -0.00083800 0.00637462 19.39876424 -0.00000043 -0.00000080 0.00000016 Pd 1.93855288 0.00639659 21.33813459 -0.00000232 -0.00000253 -0.00000021 Pd -0.00081739 1.94576682 21.33813458 -0.00000166 -0.00000245 -0.00000024 Pd 1.93853227 1.94574485 19.39876425 -0.00000100 -0.00000080 0.00000014 Pd -0.00079790 0.00641716 23.27750486 -0.00000271 -0.00000395 0.00000018 Pd 1.93859013 0.00643556 25.21687516 -0.00000431 -0.00000491 -0.00000017 Pd -0.00078015 1.94580579 25.21687518 -0.00000358 -0.00000472 -0.00000015 Pd 1.93857238 1.94578740 23.27750486 -0.00000344 -0.00000382 0.00000018 Pd -0.00076460 0.00645125 27.15624550 -0.00000419 -0.00000539 0.00000011 Pd 1.93861868 0.00646399 29.09561516 -0.00000501 -0.00000541 0.00000003 Pd -0.00075158 1.94583418 29.09561519 -0.00000451 -0.00000517 -0.00000004 Pd 1.93860567 1.94582147 27.15624546 -0.00000482 -0.00000515 0.00000015 Pd -0.00074122 0.00647375 31.03499721 -0.00000463 -0.00000505 -0.00000003 Pd 1.93863667 0.00648070 32.97415435 -0.00000486 -0.00000459 -0.00000005 Pd -0.00073357 1.94585084 32.97415428 -0.00000460 -0.00000435 0.00000008 Pd 1.93862903 1.94584391 31.03499721 -0.00000501 -0.00000487 -0.00000004 Pd -0.00072853 0.00648515 34.91725816 -0.00000442 -0.00000432 -0.00000024 Pd 1.93864384 0.00648698 36.80124301 -0.00000444 -0.00000379 0.00000002 Pd -0.00072640 1.94585727 36.80124291 -0.00000437 -0.00000378 0.00000009 Pd 1.93864170 1.94585532 34.91725828 -0.00000450 -0.00000391 -0.00000037 Pd -0.00097094 3.88498094 0.05691522 0.00000452 0.00000382 0.00000005 Pd 1.93840148 3.88498285 1.94090007 0.00000417 0.00000397 -0.00000001 Pd -0.00096880 5.82435307 1.94090000 0.00000484 0.00000399 0.00000006 Pd 1.93839927 5.82435119 0.05691530 0.00000441 0.00000388 0.00000005 Pd -0.00096370 3.88498731 3.88400385 0.00000470 0.00000449 -0.00000005 Pd 1.93841423 3.88499421 5.82316092 0.00000502 0.00000500 0.00000005 Pd -0.00095599 5.82436443 5.82316092 0.00000463 0.00000484 0.00000005 Pd 1.93840655 5.82435751 3.88400390 0.00000477 0.00000446 -0.00000020 Pd -0.00094559 3.88500389 7.76254295 0.00000465 0.00000531 -0.00000004 Pd 1.93843770 3.88501649 9.70191260 0.00000453 0.00000532 0.00000007 Pd -0.00093252 5.82438674 9.70191263 0.00000442 0.00000510 0.00000004 Pd 1.93842463 5.82437412 7.76254292 0.00000485 0.00000511 0.00000001 Pd -0.00091693 3.88503204 11.64128297 0.00000389 0.00000492 -0.00000000 Pd 1.93847108 3.88505028 13.58065327 0.00000306 0.00000404 -0.00000002 Pd -0.00089915 5.82442054 13.58065328 0.00000310 0.00000379 -0.00000002 Pd 1.93845328 5.82440229 11.64128295 0.00000397 0.00000467 0.00000002 Pd -0.00087963 3.88507073 15.52002359 0.00000205 0.00000270 0.00000010 Pd 1.93851125 3.88509264 17.45939394 0.00000046 0.00000099 -0.00000014 Pd -0.00085901 5.82446287 17.45939392 0.00000086 0.00000090 -0.00000014 Pd 1.93849061 5.82444098 15.52002359 0.00000184 0.00000249 0.00000010 Pd -0.00083801 3.88511508 19.39876422 -0.00000039 -0.00000084 0.00000018 Pd 1.93855288 3.88513706 21.33813458 -0.00000232 -0.00000254 -0.00000023 Pd -0.00081740 5.82450728 21.33813456 -0.00000164 -0.00000245 -0.00000018 Pd 1.93853226 5.82448530 19.39876423 -0.00000096 -0.00000082 0.00000017 Pd -0.00079790 3.88515765 23.27750487 -0.00000274 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36.80124269 -0.00000436 -0.00000386 0.00000045 Pd 1.93864169 5.82459578 34.91725805 -0.00000432 -0.00000392 -0.00000011 Pd -0.00097093 7.76372143 0.05691527 0.00000432 0.00000382 -0.00000001 Pd 1.93840144 7.76372332 1.94090013 0.00000478 0.00000358 -0.00000006 Pd -0.00096873 9.70309354 1.94090009 0.00000372 0.00000389 -0.00000003 Pd 1.93839926 9.70309165 0.05691541 0.00000453 0.00000378 -0.00000051 Pd -0.00096369 7.76372773 3.88400388 0.00000460 0.00000454 -0.00000008 Pd 1.93841424 7.76373464 5.82316092 0.00000486 0.00000513 0.00000007 Pd -0.00095601 9.70310490 5.82316092 0.00000492 0.00000486 0.00000006 Pd 1.93840654 9.70309798 3.88400392 0.00000483 0.00000441 0.00000023 Pd -0.00094559 7.76374433 7.76254293 0.00000469 0.00000533 -0.00000003 Pd 1.93843770 7.76375696 9.70191258 0.00000457 0.00000530 0.00000008 Pd -0.00093252 9.70312720 9.70191260 0.00000436 0.00000510 0.00000007 Pd 1.93842463 9.70311458 7.76254290 0.00000485 0.00000511 -0.00000008 Pd -0.00091693 7.76377251 11.64128296 0.00000387 0.00000492 0.00000000 Pd 1.93847108 7.76379076 13.58065327 0.00000304 0.00000402 -0.00000002 Pd -0.00089915 9.70316100 13.58065328 0.00000312 0.00000380 -0.00000002 Pd 1.93845328 9.70314275 11.64128293 0.00000397 0.00000468 0.00000007 Pd -0.00087963 7.76381120 15.52002359 0.00000208 0.00000266 0.00000010 Pd 1.93851125 7.76383310 17.45939393 0.00000047 0.00000098 -0.00000014 Pd -0.00085901 9.70320334 17.45939393 0.00000085 0.00000089 -0.00000014 Pd 1.93849061 9.70318145 15.52002360 0.00000184 0.00000249 0.00000007 Pd -0.00083801 7.76385553 19.39876421 -0.00000042 -0.00000080 0.00000018 Pd 1.93855288 7.76387750 21.33813457 -0.00000233 -0.00000251 -0.00000023 Pd -0.00081740 9.70324772 21.33813457 -0.00000163 -0.00000243 -0.00000021 Pd 1.93853226 9.70322576 19.39876424 -0.00000096 -0.00000084 0.00000017 Pd -0.00079790 7.76389808 23.27750487 -0.00000273 -0.00000395 0.00000016 Pd 1.93859013 7.76391647 25.21687521 -0.00000429 -0.00000492 -0.00000018 Pd -0.00078015 9.70328668 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0.00645125 27.15624545 -0.00000415 -0.00000538 0.00000017 Pd 5.81735910 0.00646399 29.09561517 -0.00000498 -0.00000543 -0.00000006 Pd 3.87798885 1.94583418 29.09561515 -0.00000449 -0.00000516 -0.00000001 Pd 5.81734613 1.94582147 27.15624547 -0.00000483 -0.00000519 0.00000013 Pd 3.87799919 0.00647375 31.03499721 -0.00000464 -0.00000516 -0.00000004 Pd 5.81737703 0.00648070 32.97415432 -0.00000472 -0.00000457 0.00000019 Pd 3.87800683 1.94585085 32.97415436 -0.00000452 -0.00000442 0.00000008 Pd 5.81736939 1.94584390 31.03499721 -0.00000486 -0.00000475 -0.00000003 Pd 3.87801189 0.00648512 34.91725832 -0.00000418 -0.00000383 -0.00000038 Pd 5.81738440 0.00648698 36.80124301 -0.00000450 -0.00000376 -0.00000021 Pd 3.87801412 1.94585728 36.80124306 -0.00000440 -0.00000389 -0.00000017 Pd 5.81738213 1.94585535 34.91725825 -0.00000471 -0.00000435 -0.00000032 Pd 3.87776946 3.88498094 0.05691532 0.00000442 0.00000383 -0.00000045 Pd 5.81714189 3.88498284 1.94089999 0.00000536 0.00000416 0.00000006 Pd 3.87777172 5.82435303 1.94090008 0.00000440 0.00000461 -0.00000001 Pd 5.81713965 5.82435119 0.05691522 0.00000459 0.00000378 0.00000008 Pd 3.87777684 3.88498730 3.88400386 0.00000453 0.00000451 0.00000033 Pd 5.81715478 3.88499422 5.82316092 0.00000463 0.00000494 0.00000006 Pd 3.87778453 5.82436445 5.82316092 0.00000466 0.00000468 0.00000004 Pd 5.81714708 5.82435751 3.88400386 0.00000473 0.00000442 -0.00000009 Pd 3.87779490 3.88500389 7.76254293 0.00000464 0.00000530 -0.00000012 Pd 5.81717815 3.88501649 9.70191262 0.00000462 0.00000535 0.00000004 Pd 3.87780794 5.82438674 9.70191259 0.00000441 0.00000514 0.00000009 Pd 5.81716512 5.82437412 7.76254294 0.00000483 0.00000512 -0.00000002 Pd 3.87782350 3.88503203 11.64128295 0.00000391 0.00000495 0.00000005 Pd 5.81721151 3.88505028 13.58065328 0.00000306 0.00000403 -0.00000002 Pd 3.87784129 5.82442054 13.58065328 0.00000313 0.00000378 -0.00000003 Pd 5.81719372 5.82440229 11.64128297 0.00000398 0.00000467 0.00000000 Pd 3.87786081 3.88507073 15.52002359 0.00000209 0.00000266 0.00000008 Pd 5.81725170 3.88509263 17.45939393 0.00000049 0.00000099 -0.00000013 Pd 3.87788145 5.82446287 17.45939393 0.00000086 0.00000091 -0.00000014 Pd 5.81723105 5.82444098 15.52002359 0.00000187 0.00000251 0.00000009 Pd 3.87790246 3.88511508 19.39876424 -0.00000042 -0.00000080 0.00000016 Pd 5.81729337 3.88513706 21.33813458 -0.00000236 -0.00000253 -0.00000023 Pd 3.87792308 5.82450728 21.33813458 -0.00000165 -0.00000246 -0.00000022 Pd 5.81727273 5.82448531 19.39876422 -0.00000097 -0.00000084 0.00000019 Pd 3.87794258 3.88515765 23.27750486 -0.00000274 -0.00000398 0.00000016 Pd 5.81733062 3.88517605 25.21687519 -0.00000432 -0.00000496 -0.00000018 Pd 3.87796033 5.82454625 25.21687520 -0.00000361 -0.00000470 -0.00000019 Pd 5.81731287 5.82452785 23.27750487 -0.00000351 -0.00000378 0.00000015 Pd 3.87797586 3.88519172 27.15624549 -0.00000419 -0.00000540 0.00000013 Pd 5.81735910 3.88520441 29.09561520 -0.00000498 -0.00000536 -0.00000000 Pd 3.87798885 5.82457464 29.09561521 -0.00000448 -0.00000518 -0.00000008 Pd 5.81734613 5.82456193 27.15624555 -0.00000480 -0.00000516 0.00000007 Pd 3.87799918 3.88521412 31.03499721 -0.00000452 -0.00000500 -0.00000005 Pd 5.81737703 3.88522105 32.97415428 -0.00000473 -0.00000448 -0.00000009 Pd 3.87800683 5.82459131 32.97415424 -0.00000455 -0.00000436 0.00000021 Pd 5.81736940 5.82458437 31.03499721 -0.00000491 -0.00000490 -0.00000003 Pd 3.87801192 3.88522555 34.91725820 -0.00000462 -0.00000404 -0.00000027 Pd 5.81738440 3.88522754 36.80124287 -0.00000453 -0.00000387 0.00000026 Pd 3.87801412 5.82459773 36.80124285 -0.00000445 -0.00000379 0.00000002 Pd 5.81738213 5.82459578 34.91725802 -0.00000459 -0.00000377 -0.00000006 Pd 3.87776945 7.76372144 0.05691533 0.00000451 0.00000370 0.00000007 Pd 5.81714197 7.76372330 1.94090004 0.00000415 0.00000395 0.00000003 Pd 3.87777169 9.70309353 1.94090016 0.00000478 0.00000401 -0.00000010 Pd 5.81713967 9.70309164 0.05691531 0.00000441 0.00000382 -0.00000012 Pd 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7.76395466 31.03499721 -0.00000456 -0.00000502 -0.00000002 Pd 5.81737703 7.76396162 32.97415421 -0.00000471 -0.00000463 0.00000015 Pd 3.87800683 9.70333187 32.97415432 -0.00000451 -0.00000450 -0.00000013 Pd 5.81736940 9.70332492 31.03499721 -0.00000495 -0.00000499 -0.00000003 Pd 3.87801191 7.76396608 34.91725809 -0.00000448 -0.00000440 -0.00000013 Pd 5.81738440 7.76396791 36.80124279 -0.00000447 -0.00000385 0.00000016 Pd 3.87801412 9.70333810 36.80124294 -0.00000438 -0.00000373 0.00000018 Pd 5.81738211 9.70333629 34.91725813 -0.00000437 -0.00000387 -0.00000017 Pd 7.75650991 0.00624048 0.05691523 0.00000451 0.00000375 -0.00000010 Pd 9.69588237 0.00624243 1.94090000 0.00000468 0.00000344 0.00000004 Pd 7.75651218 1.94561259 1.94089995 0.00000429 0.00000448 0.00000010 Pd 9.69588019 1.94561068 0.05691520 0.00000441 0.00000393 -0.00000013 Pd 7.75651730 0.00624685 3.88400384 0.00000458 0.00000444 0.00000012 Pd 9.69589516 0.00625375 5.82316092 0.00000489 0.00000512 0.00000007 Pd 7.75652498 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9.70312720 9.70191262 0.00000443 0.00000511 0.00000004 Pd 9.69590555 9.70311458 7.76254294 0.00000485 0.00000514 0.00000005 Pd 7.75656396 7.76377250 11.64128298 0.00000393 0.00000492 0.00000001 Pd 9.69595200 7.76379076 13.58065329 0.00000304 0.00000401 -0.00000005 Pd 7.75658175 9.70316100 13.58065328 0.00000313 0.00000378 -0.00000002 Pd 9.69593420 9.70314275 11.64128297 0.00000397 0.00000466 -0.00000002 Pd 7.75660127 7.76381120 15.52002358 0.00000206 0.00000267 0.00000009 Pd 9.69599217 7.76383310 17.45939390 0.00000048 0.00000099 -0.00000010 Pd 7.75662191 9.70320334 17.45939392 0.00000087 0.00000090 -0.00000015 Pd 9.69597153 9.70318145 15.52002359 0.00000185 0.00000250 0.00000011 Pd 7.75664292 7.76385553 19.39876420 -0.00000039 -0.00000083 0.00000021 Pd 9.69603381 7.76387750 21.33813456 -0.00000233 -0.00000252 -0.00000021 Pd 7.75666354 9.70324772 21.33813457 -0.00000167 -0.00000244 -0.00000019 Pd 9.69601318 9.70322577 19.39876422 -0.00000096 -0.00000083 0.00000018 Pd 7.75668305 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