864 Lattice="15.336977073387816 0.0 0.0 15.336977073387814 18.783884013282112 0.0 0.0 0.0 70.83846273500458" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2997.2108104292406 stress="0.002972798913805095 -2.2955789539993776e-07 -5.471740785467481e-07 -2.2955789539993776e-07 0.002643471642207703 2.8721474528260534e-06 -5.471740785467481e-07 2.8721474528260534e-06 3.826878460385387e-07" pbc="T T F" Cu 0.00130948 -0.00685393 17.82617860 -0.00000190 0.00000948 0.00000119 Cu 3.83555358 2.09761917 18.45906133 -0.00000184 0.00000935 0.00000123 Cu 2.55747232 -0.00685397 17.82617861 -0.00000173 0.00000947 0.00000139 Cu 6.39171641 2.09761925 18.45906127 -0.00000179 0.00000943 0.00000138 Cu 17.89444865 16.70880973 19.16217254 -0.00000171 0.00000949 0.00000127 Cu 6.39171509 0.01647161 19.98133044 -0.00000144 0.00000924 0.00000134 Cu 20.45061149 16.70880980 19.16217250 -0.00000185 0.00000930 0.00000115 Cu 8.94787797 0.01647168 19.98133042 -0.00000209 0.00000905 0.00000094 Cu 20.45061012 14.61651943 20.65873100 -0.00000186 0.00000902 0.00000093 Cu 24.28485343 16.69744605 21.38257740 -0.00000197 0.00000867 0.00000098 Cu 23.00677296 14.61651949 20.65873092 -0.00000160 0.00000934 0.00000129 Cu 26.84101625 16.69744602 21.38257740 -0.00000141 0.00000894 0.00000112 Cu 23.00677041 12.52274153 22.16226776 -0.00000175 0.00000872 0.00000194 Cu 26.84101333 14.61268702 22.87165777 -0.00000114 0.00000819 0.00000123 Cu 25.56293323 12.52274157 22.16226777 -0.00000150 0.00000842 0.00000144 Cu 14.06019915 14.61268694 22.87165783 -0.00000204 0.00000834 0.00000113 Cu 10.22595308 10.43534817 23.60787515 -0.00000130 0.00000812 0.00000070 Cu 14.06019526 12.52369019 24.36472852 -0.00000195 0.00000771 0.00000076 Cu 12.78211594 10.43534811 23.60787518 -0.00000176 0.00000843 0.00000096 Cu 16.61635806 12.52369014 24.36472857 -0.00000099 0.00000768 0.00000046 Cu 12.78211186 8.35019785 25.08852215 -0.00000179 0.00000725 0.00000140 Cu 16.61635378 10.43611377 25.82674786 -0.00000104 0.00000664 0.00000089 Cu 15.33827466 8.35019778 25.08852222 -0.00000096 0.00000723 0.00000117 Cu 19.17251665 10.43611376 25.82674783 -0.00000158 0.00000696 0.00000128 Cu 15.33826977 6.26241339 26.57306358 -0.00000058 0.00000661 0.00000070 Cu 19.17251153 8.34983934 27.30397015 -0.00000123 0.00000629 0.00000076 Cu 17.89443269 6.26241337 26.57306360 -0.00000189 0.00000661 0.00000061 Cu 21.72867437 8.34983943 27.30397014 -0.00000106 0.00000581 0.00000014 Cu 17.89442736 4.17509423 28.04254270 -0.00000168 0.00000537 0.00000085 Cu 6.39169156 6.26248316 28.78414361 -0.00000107 0.00000461 0.00000055 Cu 5.11361307 4.17509427 28.04254265 -0.00000043 0.00000553 0.00000119 Cu 8.94785439 6.26248318 28.78414353 -0.00000081 0.00000510 0.00000135 Cu 5.11360713 2.08841917 29.51866773 -0.00000035 0.00000482 0.00000072 Cu 8.94784825 4.17528654 30.25706842 -0.00000036 0.00000419 0.00000059 Cu 7.66977003 2.08841926 29.51866771 -0.00000132 0.00000434 0.00000026 Cu 11.50401114 4.17528655 30.25706848 -0.00000109 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36.16101136 0.00000057 -0.00000114 -0.00000038 Cu 17.89439442 12.52402571 35.42324796 0.00000066 -0.00000041 0.00000009 Cu 21.72863529 14.61110257 36.16101130 -0.00000023 -0.00000083 0.00000007 Cu 17.89438744 10.43692310 36.89826070 0.00000110 -0.00000137 -0.00000042 Cu 21.72862835 12.52413596 37.63696334 0.00000022 -0.00000190 -0.00000011 Cu 20.45055037 10.43692313 36.89826068 -0.00000047 -0.00000138 -0.00000037 Cu 24.28479117 12.52413601 37.63696336 0.00000061 -0.00000245 -0.00000083 Cu 20.45054355 8.34985045 38.37507701 -0.00000022 -0.00000286 -0.00000012 Cu 8.94780742 10.43700559 39.11140557 0.00000060 -0.00000374 -0.00000077 Cu 7.66972924 8.34985048 38.37507697 0.00000129 -0.00000272 0.00000010 Cu 11.50397026 10.43700554 39.11140554 0.00000068 -0.00000311 0.00000007 Cu 7.66972274 6.26297924 39.85095139 0.00000132 -0.00000360 -0.00000054 Cu 11.50396386 8.34984652 40.58935212 0.00000109 -0.00000420 -0.00000048 Cu 10.22588564 6.26297925 39.85095141 0.00000017 -0.00000389 -0.00000094 Cu 14.06012673 8.34984651 40.58935220 0.00000064 -0.00000476 -0.00000135 Cu 10.22587956 4.17578263 41.32387625 0.00000046 -0.00000526 -0.00000052 Cu 14.06012083 6.26317143 42.06547722 0.00000072 -0.00000590 -0.00000087 Cu 12.78204235 4.17578258 41.32387624 0.00000142 -0.00000489 0.00000005 Cu 16.61628364 6.26317139 42.06547720 0.00000137 -0.00000544 -0.00000020 Cu 12.78203664 2.08842628 42.80404982 0.00000125 -0.00000564 -0.00000077 Cu 16.61627834 4.17585222 43.53495639 0.00000166 -0.00000627 -0.00000111 Cu 15.33819950 2.08842627 42.80404987 0.00000098 -0.00000601 -0.00000128 Cu 3.83546416 4.17585225 43.53495641 0.00000076 -0.00000651 -0.00000158 Cu 15.33819436 18.78603588 44.28127218 0.00000141 -0.00000708 -0.00000080 Cu 3.83545927 2.08806789 45.01949774 0.00000099 -0.00000756 -0.00000082 Cu 17.89435721 18.78603587 44.28127216 0.00000121 -0.00000680 -0.00000045 Cu 6.39162208 2.08806791 45.01949772 0.00000180 -0.00000743 -0.00000077 Cu 17.89435290 16.69845949 45.74329152 0.00000102 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10.42179412 50.12668943 0.00000118 -0.00000919 -0.00000130 Cu 16.61626235 12.51333988 50.94584749 0.00000173 -0.00000953 -0.00000131 Cu 12.78201758 8.34064646 51.64895854 0.00000169 -0.00000937 -0.00000122 Cu 16.61626169 10.44511952 52.28184135 0.00000178 -0.00000942 -0.00000143 Cu 15.33818042 8.34064643 51.64895856 0.00000190 -0.00000934 -0.00000113 Cu 19.17242454 10.44511954 52.28184132 0.00000183 -0.00000943 -0.00000116 Cu 5.11363501 6.25444088 17.82617853 -0.00000171 0.00000943 0.00000119 Cu 8.94787912 8.35891407 18.45906130 -0.00000184 0.00000937 0.00000119 Cu 7.66979786 6.25444097 17.82617847 -0.00000186 0.00000941 0.00000125 Cu 11.50404197 8.35891406 18.45906131 -0.00000171 0.00000931 0.00000115 Cu 7.66979730 4.18622056 19.16217225 -0.00000190 0.00000931 0.00000129 Cu 11.50404070 6.27776635 19.98133035 -0.00000170 0.00000910 0.00000130 Cu 10.22596015 4.18622059 19.16217222 -0.00000169 0.00000924 0.00000133 Cu 14.06020355 6.27776627 19.98133038 -0.00000177 0.00000918 0.00000164 Cu 10.22595880 2.09393019 20.65873073 -0.00000137 0.00000919 0.00000126 Cu 14.06020207 4.17485660 21.38257731 -0.00000162 0.00000914 0.00000126 Cu 12.78212169 2.09393016 20.65873078 -0.00000210 0.00000892 0.00000109 Cu 16.61636492 4.17485656 21.38257738 -0.00000179 0.00000883 0.00000090 Cu 12.78211911 0.00015219 22.16226772 -0.00000210 0.00000856 0.00000100 Cu 16.61636205 2.09009757 22.87165773 -0.00000182 0.00000809 0.00000096 Cu 15.33828191 0.00015210 22.16226774 -0.00000119 0.00000875 0.00000154 Cu 3.83554780 2.09009756 22.87165769 -0.00000142 0.00000852 0.00000146 Cu 15.33827881 16.69664273 23.60787518 -0.00000145 0.00000830 0.00000135 Cu 3.83554388 0.00110082 24.36472841 -0.00000099 0.00000778 0.00000115 Cu 17.89444167 16.69664273 23.60787522 -0.00000164 0.00000792 0.00000090 Cu 6.39170678 0.00110091 24.36472839 -0.00000196 0.00000751 0.00000065 Cu 17.89443753 14.61149243 25.08852232 -0.00000143 0.00000730 0.00000063 Cu 21.72867953 16.69740853 25.82674776 -0.00000175 0.00000676 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