504 Lattice="16.499999749224664 0.0 0.0 0.0 11.667261712253094 0.0 0.0 0.0 76.9999988297151" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1929.1309850058576 stress="0.0017090009281739136 1.842333790788252e-11 -1.6171615924248886e-06 1.842333790788252e-11 -0.0004034330349498598 1.766878078062461e-07 -1.6171615924248886e-06 1.766878078062461e-07 1.8611588003116569e-09" free_energy=-1929.1309850058576 pbc="T T F" Pd 0.00646533 0.00652546 19.35529819 -0.00000645 -0.00000010 -0.00000040 Pd 2.75646528 0.00652539 19.35529818 -0.00000636 0.00000113 -0.00000048 Pd 1.38146147 1.95106916 20.57797068 -0.00000496 0.00000097 0.00000007 Pd 4.13146153 1.95106916 20.57797066 -0.00000636 0.00000105 -0.00000001 Pd 2.75644913 0.00652603 22.01091260 -0.00000608 0.00000117 0.00000063 Pd 5.50644908 0.00652611 22.01091276 -0.00000604 0.00000015 -0.00000200 Pd 4.13143580 1.95107031 23.37587114 -0.00000671 0.00000016 0.00000015 Pd 6.88143563 1.95107031 23.37587114 -0.00000476 0.00000024 0.00000015 Pd 5.50641802 0.00652744 24.75467296 -0.00000546 0.00000058 0.00000122 Pd 8.25641798 0.00652741 24.75467307 -0.00000544 0.00000103 -0.00000043 Pd 6.88139700 1.95107200 26.12754125 -0.00000552 0.00000050 -0.00000006 Pd 9.63139692 1.95107200 26.12754126 -0.00000502 0.00000043 -0.00000007 Pd 8.25637219 0.00652947 27.50349207 -0.00000457 0.00000059 0.00000039 Pd 11.00637214 0.00652947 27.50349211 -0.00000453 0.00000034 -0.00000011 Pd 9.63134437 1.95107432 28.87811794 -0.00000429 0.00000043 0.00000008 Pd 12.38134431 1.95107430 28.87811795 -0.00000405 0.00000044 0.00000001 Pd 11.00631364 0.00653206 30.25326917 -0.00000347 0.00000019 0.00000009 Pd 13.75631359 0.00653203 30.25326916 -0.00000339 0.00000036 0.00000022 Pd 12.38128053 1.95107710 31.62820559 -0.00000274 0.00000048 0.00000001 Pd 15.13128050 1.95107709 31.62820560 -0.00000289 0.00000047 -0.00000003 Pd 13.75624545 0.00653503 33.00323235 -0.00000216 0.00000006 -0.00000011 Pd 0.00624566 0.00653504 33.00323233 -0.00000214 -0.00000003 0.00000002 Pd 15.13120885 1.95108023 34.37822117 -0.00000143 0.00000038 0.00000004 Pd 1.38120906 1.95108023 34.37822117 -0.00000143 0.00000039 -0.00000000 Pd 0.00617147 0.00653829 35.75322593 -0.00000083 -0.00000012 -0.00000007 Pd 2.75617142 0.00653830 35.75322592 -0.00000074 -0.00000009 -0.00000002 Pd 1.38113326 1.95108356 37.12822367 -0.00000001 0.00000022 0.00000003 Pd 4.13113323 1.95108357 37.12822367 -0.00000014 0.00000019 -0.00000006 Pd 2.75609500 0.00654165 38.50322528 0.00000054 -0.00000013 -0.00000008 Pd 5.50609495 0.00654166 38.50322526 0.00000061 -0.00000017 0.00000007 Pd 4.13105712 1.95108694 39.87822301 0.00000138 -0.00000012 0.00000010 Pd 6.88105710 1.95108694 39.87822301 0.00000112 -0.00000011 -0.00000003 Pd 5.50602015 0.00654496 41.25322778 0.00000180 -0.00000008 -0.00000015 Pd 8.25602011 0.00654496 41.25322775 0.00000193 -0.00000007 0.00000015 Pd 6.88098448 1.95109019 42.62821659 0.00000267 -0.00000039 0.00000006 Pd 9.63098446 1.95109018 42.62821659 0.00000233 -0.00000040 0.00000003 Pd 8.25595059 0.00654808 44.00324334 0.00000308 -0.00000011 -0.00000013 Pd 11.00595056 0.00654806 44.00324333 0.00000301 -0.00000009 0.00000017 Pd 9.63091886 1.95109316 45.37817975 0.00000374 -0.00000059 -0.00000008 Pd 12.38091883 1.95109315 45.37817977 0.00000348 -0.00000055 0.00000008 Pd 11.00588964 0.00655085 46.75333099 0.00000418 -0.00000023 -0.00000011 Pd 13.75588961 0.00655084 46.75333101 0.00000405 -0.00000025 0.00000006 Pd 12.38086335 1.95109570 48.12795685 0.00000456 -0.00000057 -0.00000018 Pd 15.13086331 1.95109570 48.12795687 0.00000447 -0.00000060 0.00000006 Pd 13.75584008 0.00655315 49.50390770 0.00000513 -0.00000045 -0.00000003 Pd 0.00584029 0.00655315 49.50390772 0.00000494 -0.00000045 0.00000003 Pd 15.13082044 1.95109770 50.87677595 0.00000522 -0.00000055 -0.00000031 Pd 1.38082064 1.95109770 50.87677596 0.00000517 -0.00000050 -0.00000045 Pd 0.00580424 0.00655487 52.25557783 0.00000528 -0.00000079 -0.00000008 Pd 2.75580415 0.00655487 52.25557781 0.00000595 -0.00000077 -0.00000003 Pd 1.38079185 1.95109904 53.62053631 0.00000564 -0.00000037 0.00000058 Pd 4.13079180 1.95109905 53.62053634 0.00000565 -0.00000050 -0.00000048 Pd 2.75578039 0.00655596 55.05347831 0.00000558 -0.00000094 -0.00000003 Pd 5.50578033 0.00655597 55.05347825 0.00000585 -0.00000096 -0.00000001 Pd 4.13077693 1.95109970 56.27615078 0.00000586 -0.00000053 0.00000025 Pd 6.88077688 1.95109969 56.27615075 0.00000589 -0.00000035 -0.00000010 Pd 0.00646532 3.89561262 19.35529822 -0.00000633 0.00000110 -0.00000077 Pd 2.75646528 3.89561263 19.35529806 -0.00000633 0.00000114 0.00000130 Pd 1.38146147 5.84015652 20.57797067 -0.00000488 -0.00000095 0.00000005 Pd 4.13146153 5.84015655 20.57797066 -0.00000649 -0.00000119 -0.00000002 Pd 2.75644913 3.89561328 22.01091273 -0.00000608 0.00000104 -0.00000140 Pd 5.50644909 3.89561329 22.01091276 -0.00000607 0.00000102 -0.00000209 Pd 4.13143580 5.84015749 23.37587115 -0.00000669 0.00000098 0.00000003 Pd 6.88143562 5.84015750 23.37587115 -0.00000468 0.00000100 -0.00000001 Pd 5.50641802 3.89561467 24.75467294 -0.00000545 0.00000070 0.00000147 Pd 8.25641798 3.89561467 24.75467304 -0.00000545 0.00000071 0.00000002 Pd 6.88139700 5.84015926 26.12754124 -0.00000551 0.00000006 0.00000004 Pd 9.63139692 5.84015926 26.12754126 -0.00000505 0.00000011 0.00000003 Pd 8.25637219 3.89561671 27.50349208 -0.00000459 0.00000057 0.00000019 Pd 11.00637214 3.89561669 27.50349211 -0.00000452 0.00000057 -0.00000003 Pd 9.63134437 5.84016154 28.87811794 -0.00000431 0.00000058 0.00000001 Pd 12.38134431 5.84016153 28.87811795 -0.00000404 0.00000055 -0.00000005 Pd 11.00631364 3.89561929 30.25326917 -0.00000345 0.00000021 0.00000010 Pd 13.75631359 3.89561928 30.25326916 -0.00000342 0.00000026 0.00000026 Pd 12.38128053 5.84016434 31.62820559 -0.00000271 0.00000041 0.00000004 Pd 15.13128050 5.84016433 31.62820559 -0.00000291 0.00000042 -0.00000000 Pd 13.75624545 3.89562227 33.00323235 -0.00000218 0.00000004 -0.00000014 Pd 0.00624566 3.89562227 33.00323234 -0.00000212 0.00000003 -0.00000001 Pd 15.13120885 5.84016746 34.37822117 -0.00000145 0.00000043 0.00000001 Pd 1.38120906 5.84016747 34.37822117 -0.00000141 0.00000042 -0.00000003 Pd 0.00617147 3.89562552 35.75322593 -0.00000080 -0.00000012 -0.00000004 Pd 2.75617142 3.89562554 35.75322592 -0.00000077 -0.00000013 0.00000001 Pd 1.38113326 5.84017080 37.12822367 0.00000000 0.00000019 0.00000006 Pd 4.13113323 5.84017081 37.12822367 -0.00000015 0.00000018 -0.00000004 Pd 2.75609500 3.89562888 38.50322528 0.00000052 -0.00000012 -0.00000010 Pd 5.50609495 3.89562890 38.50322526 0.00000064 -0.00000014 0.00000006 Pd 4.13105713 5.84017417 39.87822302 0.00000137 -0.00000010 0.00000008 Pd 6.88105710 5.84017418 39.87822301 0.00000113 -0.00000011 -0.00000004 Pd 5.50602015 3.89563220 41.25322777 0.00000182 -0.00000010 -0.00000014 Pd 8.25602011 3.89563220 41.25322775 0.00000191 -0.00000009 0.00000015 Pd 6.88098448 5.84017743 42.62821659 0.00000267 -0.00000039 0.00000006 Pd 9.63098446 5.84017742 42.62821659 0.00000233 -0.00000039 0.00000002 Pd 8.25595059 3.89563531 44.00324334 0.00000305 -0.00000010 -0.00000014 Pd 11.00595056 3.89563530 44.00324333 0.00000303 -0.00000009 0.00000017 Pd 9.63091885 5.84018040 45.37817975 0.00000374 -0.00000061 -0.00000003 Pd 12.38091883 5.84018039 45.37817976 0.00000347 -0.00000057 0.00000012 Pd 11.00588964 3.89563809 46.75333099 0.00000420 -0.00000020 -0.00000011 Pd 13.75588961 3.89563808 46.75333101 0.00000402 -0.00000021 0.00000006 Pd 12.38086335 5.84018294 48.12795686 0.00000456 -0.00000056 -0.00000029 Pd 15.13086331 5.84018293 48.12795687 0.00000447 -0.00000057 -0.00000004 Pd 13.75584008 3.89564040 49.50390770 0.00000506 -0.00000055 -0.00000003 Pd 0.00584029 3.89564040 49.50390772 0.00000501 -0.00000053 0.00000003 Pd 15.13082044 5.84018494 50.87677593 0.00000522 -0.00000055 -0.00000005 Pd 1.38082064 5.84018494 50.87677596 0.00000517 -0.00000052 -0.00000032 Pd 0.00580424 3.89564210 52.25557783 0.00000538 -0.00000066 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42.62821659 0.00000267 -0.00000043 0.00000009 Pd 9.63098446 9.72926466 42.62821659 0.00000233 -0.00000040 0.00000004 Pd 8.25595059 7.78472255 44.00324334 0.00000303 -0.00000008 -0.00000017 Pd 11.00595056 7.78472254 44.00324333 0.00000305 -0.00000008 0.00000013 Pd 9.63091886 9.72926763 45.37817975 0.00000372 -0.00000054 -0.00000008 Pd 12.38091883 9.72926762 45.37817976 0.00000349 -0.00000056 0.00000010 Pd 11.00588964 7.78472533 46.75333098 0.00000423 -0.00000026 -0.00000006 Pd 13.75588961 7.78472532 46.75333101 0.00000399 -0.00000023 0.00000011 Pd 12.38086335 9.72927018 48.12795685 0.00000458 -0.00000065 -0.00000027 Pd 15.13086331 9.72927017 48.12795687 0.00000444 -0.00000057 -0.00000002 Pd 13.75584008 7.78472763 49.50390770 0.00000502 -0.00000046 -0.00000009 Pd 0.00584028 7.78472763 49.50390773 0.00000506 -0.00000048 -0.00000002 Pd 15.13082044 9.72927217 50.87677593 0.00000518 -0.00000044 -0.00000010 Pd 1.38082064 9.72927218 50.87677596 0.00000520 -0.00000055 -0.00000041 Pd 0.00580424 7.78472934 52.25557783 0.00000539 -0.00000079 -0.00000004 Pd 2.75580416 7.78472935 52.25557781 0.00000584 -0.00000083 0.00000001 Pd 1.38079184 9.72927352 53.62053632 0.00000568 -0.00000059 0.00000049 Pd 4.13079180 9.72927352 53.62053634 0.00000563 -0.00000043 -0.00000046 Pd 2.75578043 7.78473042 55.05347832 0.00000505 -0.00000068 -0.00000004 Pd 5.50578030 7.78473042 55.05347825 0.00000636 -0.00000055 -0.00000002 Pd 4.13077693 9.72927417 56.27615079 0.00000587 -0.00000049 0.00000025 Pd 6.88077688 9.72927420 56.27615076 0.00000586 -0.00000078 -0.00000016 Pd 5.50646524 0.00652549 19.35529803 -0.00000633 -0.00000024 0.00000147 Pd 8.25646520 0.00652541 19.35529816 -0.00000635 0.00000108 -0.00000041 Pd 6.88146149 1.95106919 20.57797065 -0.00000648 0.00000082 0.00000001 Pd 9.63146150 1.95106920 20.57797066 -0.00000718 0.00000050 0.00000008 Pd 8.25644904 0.00652605 22.01091259 -0.00000603 0.00000113 0.00000061 Pd 11.00644900 0.00652610 22.01091267 -0.00000609 0.00000022 -0.00000031 Pd 9.63143567 1.95107030 23.37587115 -0.00000607 0.00000034 0.00000008 Pd 12.38143565 1.95107028 23.37587117 -0.00000640 0.00000037 0.00000013 Pd 11.00641793 0.00652743 24.75467305 -0.00000546 0.00000059 0.00000009 Pd 13.75641789 0.00652739 24.75467299 -0.00000543 0.00000108 0.00000113 Pd 12.38139684 1.95107199 26.12754128 -0.00000450 0.00000042 -0.00000005 Pd 15.13139688 1.95107198 26.12754128 -0.00000568 0.00000045 -0.00000007 Pd 13.75637211 0.00652944 27.50349215 -0.00000457 0.00000065 -0.00000051 Pd 0.00637232 0.00652946 27.50349210 -0.00000456 0.00000038 0.00000016 Pd 15.13134426 1.95107430 28.87811795 -0.00000392 0.00000041 0.00000005 Pd 1.38134447 1.95107430 28.87811794 -0.00000384 0.00000040 0.00000004 Pd 0.00631381 0.00653204 30.25326917 -0.00000345 0.00000022 -0.00000003 Pd 2.75631376 0.00653204 30.25326918 -0.00000342 0.00000034 -0.00000026 Pd 1.38128071 1.95107709 31.62820559 -0.00000287 0.00000050 -0.00000000 Pd 4.13128065 1.95107711 31.62820558 -0.00000256 0.00000049 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-0.00000005 0.00000017 Pd 12.38098441 1.95109017 42.62821661 0.00000267 -0.00000037 -0.00000005 Pd 15.13098438 1.95109016 42.62821663 0.00000234 -0.00000038 -0.00000005 Pd 13.75595051 0.00654805 44.00324337 0.00000310 -0.00000009 -0.00000014 Pd 0.00595071 0.00654805 44.00324337 0.00000316 -0.00000009 0.00000013 Pd 15.13091877 1.95109314 45.37817980 0.00000372 -0.00000056 0.00000001 Pd 1.38091899 1.95109314 45.37817981 0.00000349 -0.00000054 -0.00000021 Pd 0.00588982 0.00655084 46.75333104 0.00000393 -0.00000023 -0.00000012 Pd 2.75588974 0.00655085 46.75333102 0.00000436 -0.00000024 0.00000005 Pd 1.38086351 1.95109570 48.12795686 0.00000456 -0.00000056 0.00000027 Pd 4.13086346 1.95109572 48.12795687 0.00000446 -0.00000062 -0.00000030 Pd 2.75584027 0.00655317 49.50390771 0.00000462 -0.00000050 -0.00000004 Pd 5.50584019 0.00655317 49.50390766 0.00000506 -0.00000048 0.00000007 Pd 4.13082059 1.95109772 50.87677587 0.00000523 -0.00000058 0.00000038 Pd 6.88082056 1.95109772 50.87677586 0.00000516 -0.00000054 -0.00000016 Pd 5.50580417 0.00655488 52.25557776 0.00000509 -0.00000073 -0.00000002 Pd 8.25580411 0.00655489 52.25557773 0.00000530 -0.00000079 -0.00000003 Pd 6.88079176 1.95109905 53.62053624 0.00000563 -0.00000037 0.00000024 Pd 9.63079172 1.95109906 53.62053617 0.00000566 -0.00000051 0.00000118 Pd 8.25578025 0.00655596 55.05347820 0.00000647 -0.00000087 0.00000005 Pd 11.00578033 0.00655595 55.05347823 0.00000467 -0.00000070 0.00000001 Pd 9.63077682 1.95109970 56.27615079 0.00000588 -0.00000055 -0.00000083 Pd 12.38077677 1.95109968 56.27615075 0.00000586 -0.00000040 0.00000044 Pd 5.50646524 3.89561264 19.35529805 -0.00000641 0.00000113 0.00000129 Pd 8.25646521 3.89561264 19.35529808 -0.00000647 0.00000123 0.00000083 Pd 6.88146149 5.84015656 20.57797065 -0.00000641 -0.00000124 0.00000000 Pd 9.63146150 5.84015654 20.57797066 -0.00000727 -0.00000103 0.00000006 Pd 8.25644904 3.89561329 22.01091267 -0.00000607 0.00000108 -0.00000071 Pd 11.00644900 3.89561328 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