180 Lattice="9.419999644160272 0.0 0.0 0.0 9.419999644160272 0.0 0.0 0.0 62.799997627735145" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1571.8551962695178 stress="0.006530775485543574 9.346036464184277e-12 3.0336280329392926e-07 9.346036464184277e-12 0.006530775498511631 -1.5239210027242029e-06 3.0336280329392926e-07 -1.5239210027242029e-06 1.0493971730103866e-07" pbc="T T F" W -0.00077790 0.01106937 15.76870519 0.00000018 -0.00000685 -0.00000082 W 1.56922205 1.58106792 17.29982197 0.00000052 -0.00000698 -0.00000087 W -0.00077774 0.01106596 18.83144637 0.00000075 -0.00000732 -0.00000062 W 1.56922242 1.58106275 20.42278493 0.00000170 -0.00000740 -0.00000003 W -0.00077702 0.01105814 21.98626766 0.00000257 -0.00000627 0.00000016 W 1.56922374 1.58105282 23.55730189 0.00000247 -0.00000556 0.00000049 W -0.00077499 0.01104653 25.12742916 0.00000204 -0.00000429 0.00000148 W 1.56922650 1.58103956 26.69726790 0.00000176 -0.00000309 0.00000127 W -0.00077160 0.01103225 28.26733250 0.00000145 -0.00000121 0.00000096 W 1.56923040 1.58102467 29.83731761 0.00000080 0.00000102 0.00000242 W -0.00076739 0.01101734 31.40732022 -0.00000019 0.00000203 0.00000253 W 1.56923465 1.58101020 32.97730567 -0.00000142 0.00000147 0.00000055 W -0.00076342 0.01100345 34.54737056 -0.00000184 0.00000183 0.00000013 W 1.56923808 1.58099693 36.11720961 -0.00000183 0.00000302 0.00000110 W -0.00076063 0.01099096 37.68733744 -0.00000195 0.00000352 0.00000060 W 1.56924013 1.58098564 39.25837217 -0.00000150 0.00000417 -0.00000068 W -0.00075926 0.01098072 40.82185546 -0.00000122 0.00000526 -0.00000157 W 1.56924096 1.58097697 42.41319444 -0.00000084 0.00000700 -0.00000189 W -0.00075886 0.01097455 43.94481911 -0.00000067 0.00000766 -0.00000188 W 1.56924116 1.58097264 45.47593619 -0.00000044 0.00000865 -0.00000226 W -0.00077802 3.15106925 15.76870521 0.00000066 -0.00000683 -0.00000077 W 1.56922205 4.72106777 17.29982206 0.00000047 -0.00000674 -0.00000117 W -0.00077773 3.15106580 18.83144642 0.00000037 -0.00000671 -0.00000104 W 1.56922244 4.72106257 20.42278496 0.00000147 -0.00000620 -0.00000024 W -0.00077699 3.15105801 21.98626765 0.00000193 -0.00000613 0.00000056 W 1.56922375 4.72105269 23.55730191 0.00000221 -0.00000535 0.00000018 W -0.00077498 3.15104640 25.12742921 0.00000173 -0.00000411 0.00000053 W 1.56922649 4.72103937 26.69726788 0.00000180 -0.00000186 0.00000170 W -0.00077161 3.15103209 28.26733244 0.00000148 -0.00000045 0.00000214 W 1.56923038 4.72102459 29.83731767 0.00000093 0.00000013 0.00000152 W -0.00076739 3.15101727 31.40732030 -0.00000026 0.00000107 0.00000135 W 1.56923465 4.72101004 32.97730563 -0.00000146 0.00000209 0.00000117 W -0.00076339 3.15100328 34.54737053 -0.00000222 0.00000273 0.00000083 W 1.56923810 4.72099681 36.11720961 -0.00000214 0.00000306 0.00000093 W -0.00076061 3.15099084 37.68733746 -0.00000220 0.00000363 0.00000017 W 1.56924017 4.72098553 39.25837217 -0.00000214 0.00000408 -0.00000078 W -0.00075924 3.15098058 40.82185545 -0.00000151 0.00000563 -0.00000128 W 1.56924097 4.72097684 42.41319441 -0.00000122 0.00000712 -0.00000139 W -0.00075884 3.15097442 43.94481913 -0.00000069 0.00000793 -0.00000194 W 1.56924109 4.72097252 45.47593620 -0.00000017 0.00000864 -0.00000238 W -0.00077790 6.29106910 15.76870527 0.00000020 -0.00000670 -0.00000116 W 1.56922210 7.86106768 17.29982196 0.00000030 -0.00000694 -0.00000059 W -0.00077773 6.29106570 18.83144640 0.00000071 -0.00000686 -0.00000059 W 1.56922245 7.86106250 20.42278494 0.00000151 -0.00000702 -0.00000032 W -0.00077702 6.29105792 21.98626768 0.00000258 -0.00000650 -0.00000000 W 1.56922375 7.86105258 23.55730187 0.00000235 -0.00000540 0.00000069 W -0.00077499 6.29104626 25.12742917 0.00000207 -0.00000362 0.00000134 W 1.56922652 7.86103928 26.69726790 0.00000143 -0.00000237 0.00000125 W -0.00077160 6.29103198 28.26733250 0.00000136 -0.00000070 0.00000112 W 1.56923040 7.86102446 29.83731766 0.00000067 0.00000051 0.00000149 W -0.00076738 6.29101713 31.40732026 -0.00000043 0.00000147 0.00000185 W 1.56923465 7.86100989 32.97730559 -0.00000158 0.00000273 0.00000181 W -0.00076339 6.29100315 34.54737050 -0.00000231 0.00000288 0.00000114 W 1.56923810 7.86099671 36.11720964 -0.00000231 0.00000261 0.00000035 W -0.00076061 6.29099073 37.68733748 -0.00000231 0.00000352 -0.00000033 W 1.56924017 7.86098536 39.25837214 -0.00000225 0.00000509 -0.00000025 W -0.00075924 6.29098043 40.82185541 -0.00000150 0.00000622 -0.00000062 W 1.56924098 7.86097675 42.41319444 -0.00000142 0.00000660 -0.00000195 W -0.00075888 6.29097430 43.94481912 -0.00000055 0.00000778 -0.00000211 W 1.56924104 7.86097240 45.47593619 0.00000006 0.00000862 -0.00000231 W 3.13922198 0.01106928 15.76870520 0.00000017 -0.00000646 -0.00000096 W 4.70922192 1.58106793 17.29982200 0.00000070 -0.00000695 -0.00000096 W 3.13922214 0.01106596 18.83144635 0.00000063 -0.00000728 -0.00000033 W 4.70922231 1.58106272 20.42278490 0.00000161 -0.00000672 0.00000044 W 3.13922290 0.01105816 21.98626766 0.00000201 -0.00000631 0.00000023 W 4.70922363 1.58105281 23.55730192 0.00000236 -0.00000519 -0.00000003 W 3.13922491 0.01104654 25.12742920 0.00000193 -0.00000421 0.00000081 W 4.70922637 1.58103955 26.69726792 0.00000203 -0.00000274 0.00000124 W 3.13922830 0.01103225 28.26733248 0.00000117 -0.00000102 0.00000147 W 4.70923033 1.58102468 29.83731767 -0.00000001 0.00000116 0.00000177 W 3.13923252 0.01101734 31.40732026 -0.00000081 0.00000215 0.00000187 W 4.70923453 1.58101020 32.97730566 -0.00000130 0.00000169 0.00000088 W 3.13923646 0.01100344 34.54737052 -0.00000186 0.00000210 0.00000064 W 4.70923799 1.58099693 36.11720962 -0.00000237 0.00000318 0.00000090 W 3.13923927 0.01099093 37.68733742 -0.00000239 0.00000414 0.00000076 W 4.70924007 1.58098566 39.25837216 -0.00000261 0.00000410 -0.00000053 W 3.13924064 0.01098067 40.82185549 -0.00000156 0.00000610 -0.00000197 W 4.70924085 1.58097696 42.41319443 -0.00000106 0.00000702 -0.00000179 W 3.13924102 0.01097450 43.94481912 -0.00000056 0.00000799 -0.00000192 W 4.70924105 1.58097249 45.47593616 -0.00000050 0.00000930 -0.00000216 W 3.13922186 3.15106917 15.76870527 0.00000071 -0.00000646 -0.00000123 W 4.70922193 4.72106779 17.29982207 0.00000064 -0.00000689 -0.00000126 W 3.13922210 3.15106581 18.83144642 0.00000110 -0.00000690 -0.00000083 W 4.70922231 4.72106262 20.42278494 0.00000154 -0.00000701 0.00000024 W 3.13922285 3.15105804 21.98626767 0.00000264 -0.00000648 0.00000033 W 4.70922363 4.72105274 23.55730195 0.00000231 -0.00000612 -0.00000035 W 3.13922487 3.15104643 25.12742923 0.00000244 -0.00000442 0.00000036 W 4.70922635 4.72103941 26.69726789 0.00000224 -0.00000230 0.00000196 W 3.13922827 3.15103211 28.26733244 0.00000158 -0.00000052 0.00000248 W 4.70923031 4.72102462 29.83731772 0.00000020 0.00000002 0.00000091 W 3.13923251 3.15101728 31.40732034 -0.00000052 0.00000102 0.00000064 W 4.70923450 4.72101006 32.97730563 -0.00000091 0.00000208 0.00000154 W 3.13923645 3.15100330 34.54737049 -0.00000157 0.00000247 0.00000141 W 4.70923796 4.72099682 36.11720963 -0.00000188 0.00000301 0.00000064 W 3.13923927 3.15099087 37.68733746 -0.00000232 0.00000315 0.00000008 W 4.70924004 4.72098554 39.25837216 -0.00000197 0.00000408 -0.00000076 W 3.13924064 3.15098061 40.82185546 -0.00000159 0.00000499 -0.00000145 W 4.70924082 4.72097682 42.41319440 -0.00000057 0.00000722 -0.00000136 W 3.13924104 3.15097439 43.94481912 -0.00000063 0.00000800 -0.00000189 W 4.70924098 4.72097238 45.47593619 -0.00000020 0.00000923 -0.00000241 W 3.13922198 6.29106901 15.76870532 0.00000019 -0.00000627 -0.00000153 W 4.70922198 7.86106769 17.29982198 0.00000038 -0.00000694 -0.00000078 W 3.13922215 6.29106570 18.83144640 0.00000053 -0.00000679 -0.00000048 W 4.70922235 7.86106251 20.42278492 0.00000103 -0.00000697 0.00000000 W 3.13922291 6.29105793 21.98626769 0.00000185 -0.00000647 -0.00000009 W 4.70922367 7.86105257 23.55730191 0.00000175 -0.00000520 0.00000027 W 3.13922491 6.29104628 25.12742921 0.00000182 -0.00000376 0.00000088 W 4.70922637 7.86103930 26.69726791 0.00000209 -0.00000256 0.00000153 W 3.13922828 6.29103202 28.26733248 0.00000148 -0.00000110 0.00000162 W 4.70923031 7.86102449 29.83731771 0.00000033 0.00000016 0.00000097 W 3.13923249 6.29101716 31.40732030 -0.00000037 0.00000119 0.00000117 W 4.70923450 7.86100994 32.97730559 -0.00000094 0.00000217 0.00000204 W 3.13923643 6.29100317 34.54737047 -0.00000145 0.00000268 0.00000161 W 4.70923796 7.86099675 36.11720965 -0.00000199 0.00000218 0.00000014 W 3.13923926 6.29099075 37.68733748 -0.00000224 0.00000325 -0.00000040 W 4.70924005 7.86098537 39.25837213 -0.00000229 0.00000496 -0.00000020 W 3.13924064 6.29098043 40.82185542 -0.00000160 0.00000606 -0.00000084 W 4.70924083 7.86097673 42.41319441 -0.00000076 0.00000667 -0.00000163 W 3.13924099 6.29097427 43.94481912 -0.00000045 0.00000786 -0.00000201 W 4.70924094 7.86097226 45.47593614 0.00000000 0.00000922 -0.00000210 W 6.27922187 0.01106940 15.76870526 0.00000013 -0.00000695 -0.00000121 W 7.84922182 1.58106795 17.29982199 0.00000051 -0.00000701 -0.00000080 W 6.27922200 0.01106595 18.83144638 0.00000125 -0.00000696 -0.00000061 W 7.84922223 1.58106271 20.42278497 0.00000100 -0.00000662 -0.00000069 W 6.27922281 0.01105811 21.98626767 0.00000132 -0.00000568 0.00000011 W 7.84922352 1.58105278 23.55730185 0.00000206 -0.00000487 0.00000116 W 6.27922474 0.01104652 25.12742919 0.00000269 -0.00000392 0.00000124 W 7.84922626 1.58103954 26.69726794 0.00000182 -0.00000292 0.00000055 W 6.27922820 0.01103227 28.26733253 0.00000099 -0.00000124 0.00000089 W 7.84923019 1.58102467 29.83731763 0.00000044 0.00000100 0.00000234 W 6.27923238 0.01101737 31.40732027 -0.00000024 0.00000180 0.00000204 W 7.84923440 1.58101019 32.97730567 -0.00000100 0.00000164 0.00000074 W 6.27923634 0.01100346 34.54737054 -0.00000178 0.00000177 0.00000055 W 7.84923788 1.58099692 36.11720964 -0.00000248 0.00000321 0.00000065 W 6.27923915 0.01099096 37.68733745 -0.00000239 0.00000371 0.00000027 W 7.84923992 1.58098564 39.25837217 -0.00000193 0.00000440 -0.00000060 W 6.27924053 0.01098069 40.82185543 -0.00000175 0.00000570 -0.00000120 W 7.84924074 1.58097696 42.41319441 -0.00000118 0.00000711 -0.00000149 W 6.27924091 0.01097449 43.94481907 -0.00000059 0.00000800 -0.00000170 W 7.84924092 1.58097257 45.47593619 -0.00000047 0.00000894 -0.00000238 W 6.27922175 3.15106928 15.76870527 0.00000069 -0.00000697 -0.00000117 W 7.84922182 4.72106782 17.29982203 0.00000058 -0.00000699 -0.00000085 W 6.27922197 3.15106582 18.83144640 0.00000138 -0.00000695 -0.00000058 W 7.84922221 4.72106260 20.42278499 0.00000124 -0.00000685 -0.00000083 W 6.27922279 3.15105804 21.98626768 0.00000149 -0.00000647 0.00000028 W 7.84922350 4.72105272 23.55730187 0.00000242 -0.00000597 0.00000092 W 6.27922473 3.15104643 25.12742923 0.00000275 -0.00000436 0.00000044 W 7.84922625 4.72103937 26.69726792 0.00000181 -0.00000187 0.00000110 W 6.27922820 3.15103210 28.26733248 0.00000076 -0.00000040 0.00000179 W 7.84923018 4.72102459 29.83731768 0.00000039 0.00000032 0.00000148 W 6.27923239 3.15101728 31.40732033 -0.00000046 0.00000117 0.00000101 W 7.84923441 4.72101004 32.97730563 -0.00000123 0.00000225 0.00000155 W 6.27923635 3.15100328 34.54737051 -0.00000187 0.00000289 0.00000127 W 7.84923790 4.72099681 36.11720965 -0.00000277 0.00000315 0.00000040 W 6.27923915 3.15099085 37.68733748 -0.00000234 0.00000371 -0.00000028 W 7.84923993 4.72098554 39.25837216 -0.00000208 0.00000404 -0.00000065 W 6.27924052 3.15098057 40.82185543 -0.00000146 0.00000571 -0.00000098 W 7.84924074 4.72097684 42.41319441 -0.00000122 0.00000711 -0.00000146 W 6.27924092 3.15097436 43.94481912 -0.00000064 0.00000817 -0.00000205 W 7.84924086 4.72097246 45.47593623 -0.00000020 0.00000891 -0.00000268 W 6.27922186 6.29106914 15.76870533 0.00000020 -0.00000686 -0.00000151 W 7.84922187 7.86106771 17.29982199 0.00000042 -0.00000705 -0.00000066 W 6.27922199 6.29106572 18.83144641 0.00000131 -0.00000706 -0.00000060 W 7.84922221 7.86106250 20.42278499 0.00000158 -0.00000699 -0.00000119 W 6.27922281 6.29105795 21.98626770 0.00000144 -0.00000689 -0.00000024 W 7.84922349 7.86105257 23.55730183 0.00000264 -0.00000530 0.00000159 W 6.27922472 6.29104629 25.12742918 0.00000292 -0.00000400 0.00000151 W 7.84922624 7.86103928 26.69726793 0.00000207 -0.00000250 0.00000087 W 6.27922818 6.29103202 28.26733253 0.00000107 -0.00000103 0.00000099 W 7.84923018 7.86102448 29.83731767 0.00000042 0.00000025 0.00000147 W 6.27923237 6.29101716 31.40732030 -0.00000021 0.00000127 0.00000154 W 7.84923439 7.86100993 32.97730560 -0.00000097 0.00000226 0.00000191 W 6.27923634 6.29100319 34.54737048 -0.00000173 0.00000244 0.00000150 W 7.84923787 7.86099674 36.11720966 -0.00000231 0.00000218 -0.00000001 W 6.27923916 6.29099077 37.68733750 -0.00000235 0.00000296 -0.00000084 W 7.84923990 7.86098538 39.25837213 -0.00000158 0.00000477 -0.00000020 W 6.27924052 6.29098045 40.82185538 -0.00000150 0.00000568 -0.00000029 W 7.84924071 7.86097675 42.41319440 -0.00000082 0.00000653 -0.00000156 W 6.27924088 6.29097425 43.94481910 -0.00000048 0.00000794 -0.00000206 W 7.84924080 7.86097235 45.47593617 0.00000005 0.00000884 -0.00000227