360 Lattice="10.822150245308878 0.0 0.0 0.0 10.822150245308878 0.0 0.0 0.0 72.14766830205919" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2893.5304038564304 stress="0.005236356865351507 4.592783878605693e-12 1.6409485367178633e-06 4.592783878605693e-12 0.005236356864733689 1.734663195669424e-06 1.6409485367178633e-06 1.734663195669424e-06 -4.3938816875891244e-11" free_energy=-2893.5304038564304 pbc="T T F" Cu 10.82128129 0.00634262 18.04263594 0.00000640 0.00000681 -0.00000202 Cu 1.80282339 0.00634329 19.85435635 0.00000604 0.00000630 -0.00000187 Cu 10.82128193 1.81003500 19.85435636 0.00000591 0.00000637 -0.00000196 Cu 1.80282276 1.81003433 18.04263593 0.00000643 0.00000684 -0.00000200 Cu 10.82128310 0.00634454 21.65736527 0.00000511 0.00000538 -0.00000133 Cu 1.80282623 0.00634629 23.45999805 0.00000458 0.00000421 -0.00000113 Cu 10.82128477 1.81003800 23.45999806 0.00000418 0.00000438 -0.00000116 Cu 1.80282456 1.81003624 21.65736527 0.00000542 0.00000552 -0.00000128 Cu 10.82128685 0.00634845 25.26262150 0.00000312 0.00000296 -0.00000004 Cu 1.80283071 0.00635090 27.06524463 0.00000271 0.00000185 0.00000001 Cu 10.82128925 1.81004260 27.06524463 0.00000209 0.00000203 0.00000004 Cu 1.80282831 1.81004016 25.26262151 0.00000363 0.00000314 -0.00000008 Cu 10.82129188 0.00635353 28.86786775 0.00000114 0.00000101 0.00000127 Cu 1.80283611 0.00635626 30.67049093 0.00000132 0.00000049 0.00000113 Cu 10.82129466 1.81004796 30.67049093 0.00000042 0.00000065 0.00000112 Cu 1.80283333 1.81004523 28.86786775 0.00000197 0.00000118 0.00000128 Cu 10.82129752 0.00635904 32.47311416 -0.00000014 0.00000025 0.00000224 Cu 1.80284186 0.00636186 34.27573750 0.00000049 0.00000023 0.00000169 Cu 10.82130041 1.81005356 34.27573750 -0.00000057 0.00000040 0.00000168 Cu 1.80283897 1.81005075 32.47311416 0.00000084 0.00000043 0.00000223 Cu 10.82130330 0.00636471 36.07836091 -0.00000088 0.00000028 0.00000244 Cu 1.80284761 0.00636759 37.88098444 -0.00000014 0.00000023 0.00000145 Cu 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0.00000275 0.00000186 0.00000003 Cu 10.82128925 5.41742602 27.06524463 0.00000211 0.00000201 0.00000007 Cu 1.80282831 5.41742357 25.26262151 0.00000367 0.00000314 -0.00000006 Cu 10.82129188 3.61373694 28.86786775 0.00000118 0.00000101 0.00000129 Cu 1.80283611 3.61373967 30.67049093 0.00000133 0.00000047 0.00000114 Cu 10.82129466 5.41743138 30.67049093 0.00000043 0.00000067 0.00000112 Cu 1.80283333 5.41742865 28.86786775 0.00000193 0.00000121 0.00000129 Cu 10.82129752 3.61374246 32.47311416 -0.00000012 0.00000027 0.00000224 Cu 1.80284186 3.61374527 34.27573750 0.00000051 0.00000027 0.00000168 Cu 10.82130041 5.41743698 34.27573750 -0.00000054 0.00000041 0.00000168 Cu 1.80283897 5.41743416 32.47311416 0.00000087 0.00000042 0.00000225 Cu 10.82130330 3.61374812 36.07836091 -0.00000090 0.00000032 0.00000245 Cu 1.80284761 3.61375100 37.88098444 -0.00000014 0.00000025 0.00000148 Cu 10.82130616 5.41744271 37.88098444 -0.00000123 0.00000036 0.00000147 Cu 1.80284475 5.41743982 36.07836091 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1.80282831 9.02480699 25.26262151 0.00000360 0.00000316 -0.00000008 Cu 10.82129188 7.22112036 28.86786775 0.00000118 0.00000098 0.00000131 Cu 1.80283611 7.22112309 30.67049093 0.00000132 0.00000049 0.00000110 Cu 10.82129466 9.02481479 30.67049093 0.00000041 0.00000063 0.00000113 Cu 1.80283334 9.02481206 28.86786775 0.00000196 0.00000117 0.00000127 Cu 10.82129752 7.22112587 32.47311416 -0.00000017 0.00000027 0.00000223 Cu 1.80284186 7.22112869 34.27573750 0.00000051 0.00000026 0.00000169 Cu 10.82130041 9.02482039 34.27573750 -0.00000055 0.00000040 0.00000168 Cu 1.80283897 9.02481758 32.47311416 0.00000085 0.00000044 0.00000225 Cu 10.82130330 7.22113154 36.07836091 -0.00000089 0.00000029 0.00000245 Cu 1.80284760 7.22113442 37.88098444 -0.00000011 0.00000022 0.00000151 Cu 10.82130616 9.02482612 37.88098444 -0.00000123 0.00000035 0.00000148 Cu 1.80284475 9.02482324 36.07836091 0.00000020 0.00000046 0.00000244 Cu 10.82130895 7.22113733 39.68360803 -0.00000163 -0.00000010 0.00000185 Cu 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1.81005356 34.27573750 -0.00000054 0.00000040 0.00000166 Cu 9.01760580 1.81005075 32.47311416 0.00000084 0.00000042 0.00000223 Cu 7.21391988 0.00636470 36.07836091 -0.00000088 0.00000029 0.00000244 Cu 9.01761443 0.00636759 37.88098444 -0.00000012 0.00000021 0.00000150 Cu 7.21392274 1.81005929 37.88098444 -0.00000124 0.00000035 0.00000146 Cu 9.01761158 1.81005641 36.07836091 0.00000021 0.00000045 0.00000243 Cu 7.21392553 0.00637050 39.68360803 -0.00000164 -0.00000013 0.00000183 Cu 9.01761992 0.00637340 41.48623171 -0.00000122 -0.00000078 0.00000056 Cu 7.21392822 1.81006511 41.48623171 -0.00000223 -0.00000072 0.00000063 Cu 9.01761723 1.81006220 39.68360803 -0.00000056 -0.00000003 0.00000183 Cu 7.21393074 0.00637623 43.28885542 -0.00000298 -0.00000181 0.00000061 Cu 9.01762473 0.00637890 45.09147917 -0.00000289 -0.00000315 -0.00000057 Cu 7.21393304 1.81007061 45.09147917 -0.00000379 -0.00000314 -0.00000061 Cu 9.01762244 1.81006794 43.28885542 -0.00000203 -0.00000176 0.00000062 Cu 7.21393501 0.00638127 46.89410321 -0.00000458 -0.00000458 -0.00000074 Cu 9.01762829 0.00638320 48.69673649 -0.00000478 -0.00000590 -0.00000161 Cu 7.21393659 1.81007492 48.69673649 -0.00000531 -0.00000598 -0.00000160 Cu 9.01762671 1.81007298 46.89410321 -0.00000387 -0.00000463 -0.00000071 Cu 7.21393769 0.00638458 50.49974576 -0.00000584 -0.00000698 -0.00000171 Cu 9.01762999 0.00638533 52.31146639 -0.00000597 -0.00000760 -0.00000207 Cu 7.21393827 1.81007703 52.31146639 -0.00000604 -0.00000754 -0.00000207 Cu 9.01762939 1.81007629 50.49974577 -0.00000551 -0.00000700 -0.00000179 Cu 7.21389789 3.61372604 18.04263597 0.00000635 0.00000680 -0.00000219 Cu 9.01759022 3.61372671 19.85435638 0.00000605 0.00000629 -0.00000209 Cu 7.21389851 5.41741842 19.85435638 0.00000593 0.00000635 -0.00000208 Cu 9.01758959 5.41741774 18.04263597 0.00000642 0.00000686 -0.00000221 Cu 7.21389968 3.61372795 21.65736528 0.00000518 0.00000538 -0.00000139 Cu 9.01759306 3.61372971 23.45999806 0.00000458 0.00000419 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7.21391988 3.61374812 36.07836091 -0.00000086 0.00000028 0.00000244 Cu 9.01761444 3.61375100 37.88098444 -0.00000013 0.00000024 0.00000146 Cu 7.21392274 5.41744271 37.88098444 -0.00000121 0.00000035 0.00000149 Cu 9.01761158 5.41743983 36.07836091 0.00000021 0.00000043 0.00000246 Cu 7.21392553 3.61375391 39.68360803 -0.00000168 -0.00000008 0.00000183 Cu 9.01761992 3.61375681 41.48623171 -0.00000122 -0.00000078 0.00000064 Cu 7.21392822 5.41744852 41.48623171 -0.00000223 -0.00000070 0.00000060 Cu 9.01761723 5.41744562 39.68360803 -0.00000062 0.00000001 0.00000185 Cu 7.21393074 3.61375965 43.28885542 -0.00000293 -0.00000187 0.00000064 Cu 9.01762473 3.61376232 45.09147917 -0.00000292 -0.00000318 -0.00000059 Cu 7.21393303 5.41745402 45.09147917 -0.00000375 -0.00000312 -0.00000054 Cu 9.01762244 5.41745136 43.28885542 -0.00000198 -0.00000178 0.00000064 Cu 7.21393501 3.61376469 46.89410321 -0.00000461 -0.00000461 -0.00000074 Cu 9.01762829 3.61376663 48.69673650 -0.00000478 -0.00000600 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0.00000549 -0.00000136 Cu 7.21390343 7.22111529 25.26262150 0.00000315 0.00000294 -0.00000005 Cu 9.01759754 7.22111773 27.06524463 0.00000273 0.00000184 0.00000005 Cu 7.21390584 9.02480944 27.06524463 0.00000211 0.00000201 0.00000004 Cu 9.01759514 9.02480699 25.26262150 0.00000364 0.00000312 -0.00000003 Cu 7.21390847 7.22112036 28.86786775 0.00000116 0.00000097 0.00000128 Cu 9.01760294 7.22112309 30.67049093 0.00000133 0.00000047 0.00000114 Cu 7.21391125 9.02481479 30.67049093 0.00000039 0.00000066 0.00000112 Cu 9.01760017 9.02481206 28.86786775 0.00000192 0.00000119 0.00000128 Cu 7.21391410 7.22112587 32.47311416 -0.00000014 0.00000025 0.00000225 Cu 9.01760869 7.22112869 34.27573750 0.00000049 0.00000025 0.00000166 Cu 7.21391699 9.02482039 34.27573750 -0.00000055 0.00000039 0.00000168 Cu 9.01760580 9.02481758 32.47311416 0.00000085 0.00000039 0.00000224 Cu 7.21391988 7.22113154 36.07836091 -0.00000090 0.00000029 0.00000244 Cu 9.01761444 7.22113442 37.88098444 -0.00000014 0.00000022 0.00000147 Cu 7.21392274 9.02482612 37.88098444 -0.00000123 0.00000036 0.00000147 Cu 9.01761158 9.02482324 36.07836091 0.00000021 0.00000043 0.00000244 Cu 7.21392553 7.22113733 39.68360803 -0.00000166 -0.00000012 0.00000184 Cu 9.01761991 7.22114023 41.48623171 -0.00000119 -0.00000079 0.00000065 Cu 7.21392822 9.02483194 41.48623171 -0.00000225 -0.00000070 0.00000060 Cu 9.01761723 9.02482903 39.68360803 -0.00000059 0.00000003 0.00000183 Cu 7.21393074 7.22114306 43.28885542 -0.00000294 -0.00000180 0.00000065 Cu 9.01762473 7.22114573 45.09147917 -0.00000291 -0.00000311 -0.00000058 Cu 7.21393303 9.02483743 45.09147917 -0.00000373 -0.00000310 -0.00000059 Cu 9.01762244 9.02483477 43.28885542 -0.00000197 -0.00000179 0.00000065 Cu 7.21393501 7.22114809 46.89410321 -0.00000457 -0.00000456 -0.00000075 Cu 9.01762829 7.22115003 48.69673651 -0.00000476 -0.00000590 -0.00000171 Cu 7.21393659 9.02484173 48.69673650 -0.00000532 -0.00000589 -0.00000164 Cu 9.01762671 9.02483980 46.89410321 -0.00000386 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