864 Lattice="15.329999989254913 0.0 0.0 15.329999989254913 18.77533886527307 0.0 0.0 0.0 70.80623696378628" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3009.3339019418704 stress="0.0009837727807989452 -1.6123926310604504e-07 -3.8225218002750935e-07 -1.6123926310604504e-07 0.0006209770750539046 2.0585060106912173e-06 -3.8225218002750935e-07 2.0585060106912173e-06 3.3036793768559275e-07" free_energy=-3009.3339019418704 pbc="T T F" Cu 0.00129117 0.00905371 17.80948763 0.00000005 0.00000665 -0.00000117 Cu 3.83379113 2.06778238 18.49459868 -0.00000103 0.00000811 0.00000141 Cu 2.55629135 0.00905370 17.80948752 -0.00000192 0.00000666 0.00000016 Cu 6.38879121 2.06778238 18.49459874 -0.00000174 0.00000807 0.00000128 Cu 17.88629073 16.70107131 19.17878560 -0.00000133 0.00000625 0.00000128 Cu 6.38879038 0.00864959 19.94469889 -0.00000099 0.00000606 0.00000361 Cu 20.44129074 16.70107133 19.17878557 -0.00000122 0.00000585 0.00000127 Cu 8.94379038 0.00864954 19.94469930 -0.00000113 0.00000673 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30.24298341 -0.00000048 0.00000275 0.00000037 Cu 7.66626806 0.00128197 30.98225536 -0.00000041 0.00000239 0.00000044 Cu 11.49876593 2.08748138 31.71892503 -0.00000033 0.00000188 0.00000036 Cu 10.22126808 0.00128199 30.98225538 -0.00000037 0.00000234 0.00000049 Cu 14.05376594 2.08748138 31.71892504 -0.00000033 0.00000188 0.00000041 Cu 25.55126367 16.69049187 32.45610758 -0.00000022 0.00000153 0.00000015 Cu 14.05376146 0.00134371 33.19459673 -0.00000015 0.00000110 0.00000009 Cu 28.10626368 16.69049188 32.45610756 -0.00000023 0.00000151 0.00000017 Cu 1.27876145 0.00134368 33.19459671 -0.00000013 0.00000113 0.00000012 Cu 12.77625922 14.60440812 33.93168646 -0.00000006 0.00000062 0.00000010 Cu 16.60875692 16.69055879 34.66892825 0.00000003 0.00000023 0.00000004 Cu 15.33125921 14.60440810 33.93168643 -0.00000006 0.00000064 0.00000002 Cu 19.16375690 16.69055877 34.66892823 0.00000005 0.00000024 0.00000002 Cu 15.33125471 12.51829851 35.40720153 0.00000011 -0.00000027 -0.00000003 Cu 19.16375243 14.60444918 36.14444333 0.00000017 -0.00000065 0.00000001 Cu 17.88625471 12.51829849 35.40720152 0.00000009 -0.00000024 -0.00000000 Cu 21.71875243 14.60444918 36.14444335 0.00000023 -0.00000067 -0.00000002 Cu 17.88625022 10.43217473 36.88153310 0.00000028 -0.00000113 -0.00000018 Cu 21.71874803 12.51836542 37.62002228 0.00000034 -0.00000148 -0.00000026 Cu 20.44125024 10.43217472 36.88153312 0.00000025 -0.00000110 -0.00000019 Cu 24.27374804 12.51836543 37.62002230 0.00000035 -0.00000151 -0.00000026 Cu 20.44124585 8.34603706 38.35720482 0.00000045 -0.00000193 -0.00000043 Cu 8.94374376 10.43223644 39.09387448 0.00000049 -0.00000233 -0.00000039 Cu 7.66624587 8.34603706 38.35720481 0.00000040 -0.00000193 -0.00000037 Cu 11.49874375 10.43223644 39.09387447 0.00000049 -0.00000235 -0.00000036 Cu 7.66624170 6.25999105 39.83314642 0.00000055 -0.00000280 -0.00000039 Cu 11.49873969 8.34605419 40.56996849 0.00000061 -0.00000310 -0.00000053 Cu 10.22124167 6.25999104 39.83314639 0.00000057 -0.00000276 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12.77622303 10.42486889 50.13143066 0.00000123 -0.00000701 0.00000000 Cu 16.60872274 12.50778590 50.89734427 0.00000110 -0.00000590 -0.00000102 Cu 12.77622230 8.36573583 51.58153108 0.00000142 -0.00000570 -0.00000080 Cu 16.60872214 10.42446466 52.26664231 0.00000168 -0.00000676 -0.00000013 Cu 15.33122229 8.36573592 51.58153106 0.00000143 -0.00000731 -0.00000101 Cu 19.16372213 10.42446469 52.26664238 0.00000153 -0.00000684 -0.00000120 Cu 5.11129111 6.26749994 17.80948747 0.00000116 0.00000722 -0.00000028 Cu 8.94379113 8.32622877 18.49459873 -0.00000100 0.00000664 0.00000093 Cu 7.66629144 6.26749990 17.80948736 -0.00000244 0.00000730 0.00000190 Cu 11.49879116 8.32622865 18.49459877 -0.00000118 0.00000824 0.00000125 Cu 7.66629079 4.18417868 19.17878562 -0.00000124 0.00000663 0.00000094 Cu 11.49879041 6.26709589 19.94469892 -0.00000119 0.00000610 0.00000414 Cu 10.22129079 4.18417867 19.17878568 -0.00000129 0.00000682 0.00000118 Cu 14.05379045 6.26709575 19.94469907 -0.00000158 0.00000778 0.00000220 Cu 10.22128983 2.08825000 20.65467869 -0.00000162 0.00000681 0.00000124 Cu 14.05378904 4.17289337 21.36841512 -0.00000115 0.00000625 0.00000087 Cu 12.77628972 2.08825004 20.65467872 -0.00000053 0.00000636 0.00000062 Cu 16.60878905 4.17289321 21.36841507 -0.00000141 0.00000809 0.00000045 Cu 12.77628789 0.00035403 22.14495378 0.00000056 0.00000611 0.00000030 Cu 16.60878698 2.08831972 22.86852699 -0.00000057 0.00000652 0.00000199 Cu 0.00128816 0.00035405 22.14495384 -0.00000253 0.00000584 -0.00000092 Cu 3.83378708 2.08831974 22.86852699 -0.00000167 0.00000616 0.00000183 Cu 15.33128573 16.68985692 23.59741523 -0.00000092 0.00000527 0.00000143 Cu 19.16378451 18.77664062 24.35021376 -0.00000112 0.00000549 0.00000183 Cu 17.88628579 16.68985691 23.59741523 -0.00000117 0.00000532 0.00000148 Cu 21.71878451 18.77664063 24.35021385 -0.00000103 0.00000555 0.00000132 Cu 17.88628305 14.60447985 25.08080881 -0.00000105 0.00000531 0.00000057 Cu 21.71878149 16.69025315 25.81429746 -0.00000101 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