504 Lattice="16.433295375616034 0.0 0.0 0.0 11.62009459733963 0.0 0.0 0.0 76.68871175287482" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1930.605130534105 stress="0.003104437765412943 7.936543888555445e-12 -2.0661269975353985e-06 7.936543888555445e-12 0.00313905680868137 1.1939375041582497e-07 -2.0661269975353985e-06 1.1939375041582497e-07 -8.639874715637252e-09" free_energy=-1930.605130534105 pbc="T T F" Pd 0.00654964 0.00653284 19.25206882 -0.00000856 0.00000059 -0.00000060 Pd 2.74543176 0.00653287 19.25206862 -0.00000840 0.00000053 -0.00000071 Pd 1.37598636 1.94321541 20.55316936 -0.00000856 0.00000086 -0.00000087 Pd 4.11486886 1.94321543 20.55316834 -0.00000819 0.00000083 -0.00000028 Pd 2.74541679 0.00653330 21.92650910 -0.00000802 0.00000014 -0.00000033 Pd 5.48429937 0.00653332 21.92650767 -0.00000826 0.00000010 -0.00000024 Pd 4.11484295 1.94321609 23.28118222 -0.00000812 0.00000103 -0.00000049 Pd 6.85372547 1.94321610 23.28118068 -0.00000740 0.00000100 0.00000055 Pd 5.48426228 0.00653424 24.65370740 -0.00000704 -0.00000036 0.00000048 Pd 8.22314481 0.00653424 24.65370631 -0.00000744 -0.00000037 0.00000014 Pd 6.85367626 1.94321719 26.02218703 -0.00000714 0.00000104 0.00000010 Pd 9.59255869 1.94321717 26.02218652 -0.00000611 0.00000107 0.00000082 Pd 8.22308513 0.00653548 27.39215370 -0.00000559 -0.00000076 0.00000108 Pd 10.96196761 0.00653547 27.39215398 -0.00000611 -0.00000073 -0.00000015 Pd 9.59249001 1.94321850 28.76145626 -0.00000572 0.00000104 0.00000018 Pd 12.33137240 1.94321849 28.76145698 -0.00000437 0.00000105 0.00000049 Pd 10.96189129 0.00653686 30.13094736 -0.00000385 -0.00000102 0.00000105 Pd 13.70077382 0.00653686 30.13094841 -0.00000450 -0.00000103 -0.00000080 Pd 12.33128979 1.94321989 31.50036976 -0.00000406 0.00000103 -0.00000023 Pd 15.07017228 1.94321989 31.50037062 -0.00000249 0.00000104 0.00000009 Pd 13.70068591 0.00653825 32.86981742 -0.00000199 -0.00000111 0.00000076 Pd 0.00627321 0.00653825 32.86981807 -0.00000279 -0.00000111 -0.00000119 Pd 15.07008050 1.94322126 34.23925694 -0.00000236 0.00000104 -0.00000058 Pd 1.37566773 1.94322127 34.23925705 -0.00000060 0.00000102 0.00000009 Pd 0.00617858 0.00653960 35.60869898 -0.00000014 -0.00000104 0.00000075 Pd 2.74506133 0.00653961 35.60869889 -0.00000099 -0.00000105 -0.00000111 Pd 1.37557181 1.94322261 36.97813991 -0.00000068 0.00000102 -0.00000053 Pd 4.11445440 1.94322262 36.97813954 0.00000130 0.00000101 0.00000037 Pd 2.74496513 0.00654095 38.34758106 0.00000159 -0.00000088 0.00000101 Pd 5.48384780 0.00654095 38.34758090 0.00000080 -0.00000088 -0.00000099 Pd 4.11435944 1.94322399 39.71702194 0.00000096 0.00000097 -0.00000031 Pd 6.85324189 1.94322399 39.71702185 0.00000311 0.00000097 0.00000041 Pd 5.48375502 0.00654235 41.08646390 0.00000315 -0.00000069 0.00000112 Pd 8.22263755 0.00654236 41.08646416 0.00000247 -0.00000070 -0.00000110 Pd 6.85315269 1.94322545 42.45590328 0.00000244 0.00000083 -0.00000036 Pd 9.59203503 1.94322545 42.45590351 0.00000463 0.00000083 0.00000019 Pd 8.22255267 0.00654385 43.82535071 0.00000449 -0.00000055 0.00000088 Pd 10.96143513 0.00654385 43.82535098 0.00000391 -0.00000055 -0.00000120 Pd 9.59195570 1.94322701 45.19477288 0.00000377 0.00000059 -0.00000054 Pd 12.33083805 1.94322701 45.19477276 0.00000582 0.00000058 0.00000014 Pd 10.96136189 0.00654541 46.56426372 0.00000559 -0.00000052 0.00000065 Pd 13.70024442 0.00654542 46.56426340 0.00000508 -0.00000055 -0.00000095 Pd 12.33077187 1.94322858 47.93356614 0.00000493 0.00000025 -0.00000045 Pd 15.06965436 1.94322858 47.93356544 0.00000660 0.00000024 0.00000039 Pd 13.70018576 0.00654693 49.30353282 0.00000631 -0.00000063 0.00000068 Pd 0.00577302 0.00654693 49.30353214 0.00000584 -0.00000062 -0.00000040 Pd 15.06960430 1.94323001 50.67201265 0.00000575 -0.00000015 -0.00000001 Pd 1.37519151 1.94323000 50.67201206 0.00000696 -0.00000013 0.00000066 Pd 0.00573213 0.00654818 52.04453817 0.00000674 -0.00000073 0.00000090 Pd 2.74461478 0.00654818 52.04453805 0.00000637 -0.00000071 -0.00000003 Pd 1.37516107 1.94323104 53.39921172 0.00000635 -0.00000047 0.00000040 Pd 4.11404362 1.94323105 53.39921205 0.00000706 -0.00000048 0.00000046 Pd 2.74459349 0.00654895 54.77255185 0.00000693 -0.00000076 0.00000070 Pd 5.48347604 0.00654896 54.77255268 0.00000676 -0.00000077 -0.00000009 Pd 4.11403103 1.94323153 56.07365254 0.00000694 -0.00000067 0.00000029 Pd 6.85291355 1.94323155 56.07365351 0.00000704 -0.00000071 -0.00000013 Pd 0.00654964 3.87989772 19.25206882 -0.00000858 0.00000054 -0.00000059 Pd 2.74543175 3.87989773 19.25206863 -0.00000840 0.00000056 -0.00000075 Pd 1.37598637 5.81658029 20.55316935 -0.00000857 0.00000082 -0.00000085 Pd 4.11486886 5.81658031 20.55316833 -0.00000819 0.00000081 -0.00000027 Pd 2.74541678 3.87989818 21.92650911 -0.00000799 0.00000011 -0.00000036 Pd 5.48429936 3.87989819 21.92650766 -0.00000822 0.00000011 -0.00000023 Pd 4.11484296 5.81658096 23.28118222 -0.00000814 0.00000102 -0.00000047 Pd 6.85372548 5.81658095 23.28118067 -0.00000742 0.00000105 0.00000057 Pd 5.48426228 3.87989910 24.65370740 -0.00000705 -0.00000035 0.00000048 Pd 8.22314482 3.87989909 24.65370630 -0.00000746 -0.00000034 0.00000015 Pd 6.85367626 5.81658204 26.02218702 -0.00000713 0.00000107 0.00000012 Pd 9.59255868 5.81658204 26.02218650 -0.00000608 0.00000105 0.00000086 Pd 8.22308515 3.87990035 27.39215370 -0.00000562 -0.00000077 0.00000108 Pd 10.96196762 3.87990034 27.39215397 -0.00000614 -0.00000077 -0.00000014 Pd 9.59249000 5.81658337 28.76145625 -0.00000569 0.00000103 0.00000020 Pd 12.33137240 5.81658336 28.76145697 -0.00000436 0.00000104 0.00000048 Pd 10.96189128 3.87990173 30.13094736 -0.00000383 -0.00000104 0.00000105 Pd 13.70077382 3.87990172 30.13094841 -0.00000448 -0.00000102 -0.00000080 Pd 12.33128979 5.81658476 31.50036976 -0.00000405 0.00000102 -0.00000025 Pd 15.07017227 5.81658475 31.50037062 -0.00000248 0.00000103 0.00000008 Pd 13.70068590 3.87990312 32.86981742 -0.00000197 -0.00000112 0.00000077 Pd 0.00627320 3.87990312 32.86981806 -0.00000276 -0.00000112 -0.00000118 Pd 15.07008050 5.81658613 34.23925694 -0.00000235 0.00000103 -0.00000058 Pd 1.37566772 5.81658612 34.23925705 -0.00000058 0.00000104 0.00000010 Pd 0.00617859 3.87990447 35.60869898 -0.00000016 -0.00000104 0.00000075 Pd 2.74506134 3.87990448 35.60869889 -0.00000102 -0.00000105 -0.00000112 Pd 1.37557181 5.81658747 36.97813990 -0.00000068 0.00000103 -0.00000052 Pd 4.11445441 5.81658748 36.97813954 0.00000128 0.00000102 0.00000036 Pd 2.74496514 3.87990582 38.34758106 0.00000157 -0.00000088 0.00000101 Pd 5.48384782 3.87990582 38.34758089 0.00000077 -0.00000088 -0.00000097 Pd 4.11435946 5.81658885 39.71702194 0.00000092 0.00000098 -0.00000031 Pd 6.85324191 5.81658885 39.71702185 0.00000308 0.00000098 0.00000043 Pd 5.48375502 3.87990721 41.08646390 0.00000316 -0.00000067 0.00000113 Pd 8.22263755 3.87990721 41.08646416 0.00000248 -0.00000067 -0.00000110 Pd 6.85315269 5.81659031 42.45590327 0.00000245 0.00000085 -0.00000033 Pd 9.59203502 5.81659032 42.45590350 0.00000466 0.00000083 0.00000021 Pd 8.22255268 3.87990872 43.82535071 0.00000448 -0.00000055 0.00000088 Pd 10.96143513 3.87990872 43.82535099 0.00000391 -0.00000057 -0.00000122 Pd 9.59195569 5.81659188 45.19477287 0.00000378 0.00000057 -0.00000054 Pd 12.33083805 5.81659188 45.19477276 0.00000583 0.00000057 0.00000012 Pd 10.96136190 3.87991029 46.56426373 0.00000557 -0.00000054 0.00000062 Pd 13.70024443 3.87991028 46.56426340 0.00000506 -0.00000053 -0.00000094 Pd 12.33077188 5.81659345 47.93356615 0.00000491 0.00000024 -0.00000046 Pd 15.06965437 5.81659343 47.93356543 0.00000658 0.00000027 0.00000042 Pd 13.70018574 3.87991179 49.30353282 0.00000635 -0.00000060 0.00000069 Pd 0.00577301 3.87991178 49.30353213 0.00000586 -0.00000060 -0.00000036 Pd 15.06960430 5.81659485 50.67201264 0.00000576 -0.00000011 0.00000003 Pd 1.37519150 5.81659487 50.67201204 0.00000697 -0.00000014 0.00000071 Pd 0.00573212 3.87991304 52.04453816 0.00000675 -0.00000072 0.00000092 Pd 2.74461477 3.87991305 52.04453804 0.00000639 -0.00000075 -0.00000000 Pd 1.37516106 5.81659590 53.39921170 0.00000638 -0.00000046 0.00000044 Pd 4.11404361 5.81659591 53.39921205 0.00000708 -0.00000049 0.00000046 Pd 2.74459349 3.87991381 54.77255185 0.00000693 -0.00000075 0.00000072 Pd 5.48347604 3.87991382 54.77255268 0.00000677 -0.00000077 -0.00000011 Pd 4.11403102 5.81659641 56.07365254 0.00000696 -0.00000070 0.00000030 Pd 6.85291355 5.81659641 56.07365350 0.00000704 -0.00000068 -0.00000011 Pd 0.00654963 7.75326258 19.25206883 -0.00000855 0.00000056 -0.00000063 Pd 2.74543176 7.75326260 19.25206859 -0.00000840 0.00000054 -0.00000065 Pd 1.37598637 9.68994514 20.55316935 -0.00000858 0.00000085 -0.00000084 Pd 4.11486887 9.68994516 20.55316833 -0.00000821 0.00000084 -0.00000026 Pd 2.74541679 7.75326304 21.92650908 -0.00000803 0.00000011 -0.00000030 Pd 5.48429939 7.75326305 21.92650766 -0.00000828 0.00000012 -0.00000024 Pd 4.11484297 9.68994581 23.28118221 -0.00000817 0.00000104 -0.00000046 Pd 6.85372549 9.68994583 23.28118068 -0.00000743 0.00000100 0.00000055 Pd 5.48426229 7.75326396 24.65370739 -0.00000706 -0.00000034 0.00000049 Pd 8.22314481 7.75326396 24.65370629 -0.00000744 -0.00000035 0.00000018 Pd 6.85367625 9.68994691 26.02218702 -0.00000710 0.00000105 0.00000012 Pd 9.59255867 9.68994691 26.02218650 -0.00000605 0.00000106 0.00000086 Pd 8.22308512 7.75326521 27.39215369 -0.00000556 -0.00000075 0.00000111 Pd 10.96196760 7.75326521 27.39215397 -0.00000609 -0.00000076 -0.00000013 Pd 9.59249000 9.68994823 28.76145625 -0.00000568 0.00000105 0.00000020 Pd 12.33137240 9.68994822 28.76145698 -0.00000436 0.00000105 0.00000048 Pd 10.96189128 7.75326659 30.13094735 -0.00000383 -0.00000103 0.00000105 Pd 13.70077382 7.75326659 30.13094841 -0.00000449 -0.00000103 -0.00000081 Pd 12.33128980 9.68994962 31.50036976 -0.00000408 0.00000103 -0.00000024 Pd 15.07017229 9.68994962 31.50037062 -0.00000251 0.00000103 0.00000008 Pd 13.70068591 7.75326798 32.86981742 -0.00000198 -0.00000112 0.00000076 Pd 0.00627321 7.75326798 32.86981806 -0.00000278 -0.00000111 -0.00000118 Pd 15.07008050 9.68995099 34.23925694 -0.00000236 0.00000104 -0.00000059 Pd 1.37566773 9.68995099 34.23925705 -0.00000059 0.00000104 0.00000010 Pd 0.00617858 7.75326934 35.60869898 -0.00000013 -0.00000104 0.00000074 Pd 2.74506133 7.75326933 35.60869889 -0.00000099 -0.00000103 -0.00000111 Pd 1.37557181 9.68995234 36.97813990 -0.00000066 0.00000103 -0.00000052 Pd 4.11445439 9.68995234 36.97813954 0.00000133 0.00000103 0.00000037 Pd 2.74496515 7.75327068 38.34758105 0.00000156 -0.00000086 0.00000102 Pd 5.48384782 7.75327069 38.34758090 0.00000076 -0.00000088 -0.00000098 Pd 4.11435946 9.68995372 39.71702194 0.00000093 0.00000097 -0.00000031 Pd 6.85324191 9.68995373 39.71702185 0.00000309 0.00000095 0.00000041 Pd 5.48375503 7.75327208 41.08646390 0.00000313 -0.00000068 0.00000113 Pd 8.22263755 7.75327209 41.08646415 0.00000247 -0.00000069 -0.00000108 Pd 6.85315269 9.68995518 42.45590328 0.00000245 0.00000083 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0.00000104 0.00000049 Pd 12.33149046 1.94321607 23.28118107 -0.00000733 0.00000106 0.00000041 Pd 10.96202726 0.00653422 24.65370648 -0.00000698 -0.00000032 0.00000093 Pd 13.70090980 0.00653422 24.65370788 -0.00000739 -0.00000034 -0.00000054 Pd 12.33144121 1.94321716 26.02218740 -0.00000704 0.00000108 -0.00000003 Pd 15.07032373 1.94321716 26.02218871 -0.00000606 0.00000107 -0.00000014 Pd 13.70085009 0.00653547 27.39215510 -0.00000551 -0.00000075 0.00000048 Pd 0.00643737 0.00653547 27.39215613 -0.00000611 -0.00000075 -0.00000112 Pd 15.07025503 1.94321849 28.76145814 -0.00000566 0.00000105 -0.00000064 Pd 1.37584227 1.94321849 28.76145850 -0.00000444 0.00000106 -0.00000023 Pd 0.00636105 0.00653686 30.13094912 -0.00000385 -0.00000103 0.00000026 Pd 2.74524377 0.00653686 30.13094899 -0.00000460 -0.00000102 -0.00000110 Pd 1.37575966 1.94321989 31.50037093 -0.00000411 0.00000103 -0.00000078 Pd 4.11464226 1.94321989 31.50037027 -0.00000259 0.00000103 0.00000021 Pd 2.74515588 0.00653826 32.86981779 -0.00000209 -0.00000112 0.00000057 Pd 5.48403854 0.00653826 32.86981711 -0.00000288 -0.00000113 -0.00000078 Pd 4.11455051 1.94322127 34.23925661 -0.00000249 0.00000102 -0.00000047 Pd 6.85343297 1.94322127 34.23925594 -0.00000065 0.00000103 0.00000056 Pd 5.48394393 0.00653961 35.60869828 -0.00000024 -0.00000105 0.00000102 Pd 8.22282645 0.00653961 35.60869805 -0.00000098 -0.00000105 -0.00000076 Pd 6.85333706 1.94322261 36.97813923 -0.00000073 0.00000102 -0.00000026 Pd 9.59221939 1.94322262 36.97813918 0.00000137 0.00000101 0.00000051 Pd 8.22273025 0.00654096 38.34758071 0.00000160 -0.00000088 0.00000112 Pd 10.96161270 0.00654096 38.34758099 0.00000091 -0.00000088 -0.00000100 Pd 9.59212444 1.94322399 39.71702201 0.00000102 0.00000097 -0.00000037 Pd 12.33100677 1.94322399 39.71702215 0.00000323 0.00000097 0.00000032 Pd 10.96151993 0.00654236 41.08646422 0.00000324 -0.00000070 0.00000099 Pd 13.70040246 0.00654235 41.08646436 0.00000257 -0.00000069 -0.00000113 Pd 12.33091758 1.94322545 42.45590358 0.00000255 0.00000082 -0.00000045 Pd 15.06980003 1.94322545 42.45590333 0.00000469 0.00000082 0.00000036 Pd 13.70031760 0.00654385 43.82535067 0.00000459 -0.00000056 0.00000096 Pd 0.00590488 0.00654385 43.82535039 0.00000392 -0.00000055 -0.00000088 Pd 15.06972072 1.94322701 45.19477232 0.00000383 0.00000058 -0.00000020 Pd 1.37530792 1.94322700 45.19477190 0.00000575 0.00000060 0.00000058 Pd 0.00583164 0.00654542 46.56426272 0.00000559 -0.00000055 0.00000116 Pd 2.74471435 0.00654541 46.56426263 0.00000499 -0.00000052 -0.00000057 Pd 1.37524173 1.94322857 47.93356497 0.00000486 0.00000027 0.00000013 Pd 4.11412429 1.94322858 47.93356514 0.00000652 0.00000025 0.00000051 Pd 2.74465566 0.00654692 49.30353190 0.00000624 -0.00000061 0.00000112 Pd 5.48353829 0.00654694 49.30353256 0.00000578 -0.00000065 -0.00000065 Pd 4.11407421 1.94323001 50.67201237 0.00000568 -0.00000015 0.00000010 Pd 6.85295671 1.94323002 50.67201321 0.00000693 -0.00000017 0.00000003 Pd 5.48349736 0.00654819 52.04453873 0.00000668 -0.00000075 0.00000057 Pd 8.22237990 0.00654819 52.04453968 0.00000637 -0.00000075 -0.00000086 Pd 6.85292622 1.94323105 53.39921305 0.00000634 -0.00000050 -0.00000031 Pd 9.59180872 1.94323104 53.39921367 0.00000706 -0.00000046 -0.00000036 Pd 8.22235861 0.00654896 54.77255364 0.00000692 -0.00000078 -0.00000021 Pd 10.96124121 0.00654894 54.77255384 0.00000674 -0.00000075 -0.00000067 Pd 9.59179633 1.94323153 56.07365414 0.00000684 -0.00000068 -0.00000054 Pd 12.33067914 1.94323154 56.07365379 0.00000684 -0.00000070 -0.00000023 Pd 5.48431414 3.87989776 19.25206718 -0.00000827 0.00000050 0.00000016 Pd 8.22319699 3.87989774 19.25206598 -0.00000844 0.00000054 0.00000053 Pd 6.85375145 5.81658030 20.55316671 -0.00000855 0.00000083 0.00000036 Pd 9.59263406 5.81658030 20.55316609 -0.00000821 0.00000081 0.00000079 Pd 8.22318191 3.87989818 21.92650639 -0.00000800 0.00000013 0.00000092 Pd 10.96206445 3.87989817 21.92650665 -0.00000820 0.00000012 0.00000025 Pd 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