612 Lattice="15.41674493644938 0.0 0.0 7.708372468224691 13.351292758630272 0.0 0.0 0.0 71.3304106679926" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2477.8290628975124 stress="0.002769826072687251 -4.4813187676845916e-07 -7.274835308104652e-07 -4.4813187676845916e-07 0.0027731205574682114 -2.6710691595807323e-06 -7.274835308104652e-07 -2.6710691595807323e-06 4.1289605748608815e-08" free_energy=-2477.8290628975124 pbc="T T F" Cu 0.00398684 0.00408424 17.84542370 -0.00000236 -0.00000931 0.00000015 Cu 3.85817305 2.22929974 17.84542367 -0.00000234 -0.00000932 0.00000016 Cu 10.28181678 13.35537703 17.84542369 -0.00000236 -0.00000933 0.00000015 Cu 1.28871556 2.22929974 17.84542369 -0.00000235 -0.00000932 0.00000014 Cu 10.28181320 11.87188596 19.93404569 -0.00000228 -0.00000877 0.00000012 Cu 6.42762703 0.74580866 19.93404564 -0.00000232 -0.00000883 0.00000016 Cu 12.85127070 11.87188598 19.93404566 -0.00000224 -0.00000877 0.00000015 Cu 3.85816952 0.74580866 19.93404565 -0.00000227 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28.32637841 -0.00000141 -0.00000429 0.00000004 Cu 7.71231684 5.93783092 28.32637841 -0.00000129 -0.00000402 0.00000002 Cu 6.42758809 8.16304640 28.32637840 -0.00000131 -0.00000421 0.00000010 Cu 7.71230182 4.45429974 30.42433182 -0.00000087 -0.00000282 0.00000013 Cu 11.56648806 6.67951518 30.42433183 -0.00000089 -0.00000259 0.00000006 Cu 10.28175932 4.45429975 30.42433182 -0.00000102 -0.00000288 0.00000009 Cu 8.99703058 6.67951520 30.42433184 -0.00000100 -0.00000268 -0.00000000 Cu 10.28174310 2.97076506 32.52228526 -0.00000057 -0.00000129 -0.00000007 Cu 14.13592935 5.19598051 32.52228526 -0.00000056 -0.00000151 -0.00000000 Cu 12.85120059 2.97076505 32.52228526 -0.00000042 -0.00000121 -0.00000002 Cu 11.56647184 5.19598052 32.52228525 -0.00000043 -0.00000142 0.00000006 Cu 12.85118374 1.48722866 34.62023869 0.00000007 -0.00000008 0.00000010 Cu 16.70536998 3.71244410 34.62023870 0.00000005 0.00000017 0.00000003 Cu 15.42064126 1.48722866 34.62023869 -0.00000010 -0.00000015 0.00000005 Cu 14.13591250 3.71244410 34.62023870 -0.00000008 0.00000008 -0.00000004 Cu 0.00387946 0.00369224 36.71819215 0.00000039 0.00000144 -0.00000013 Cu 3.85806568 2.22890774 36.71819215 0.00000042 0.00000119 -0.00000006 Cu 2.57333693 0.00369225 36.71819215 0.00000056 0.00000151 -0.00000008 Cu 1.28860819 2.22890772 36.71819215 0.00000054 0.00000130 0.00000000 Cu 10.28169316 11.87145035 38.81614557 0.00000103 0.00000267 0.00000005 Cu 6.42750692 0.74537305 38.81614558 0.00000102 0.00000288 -0.00000002 Cu 12.85115065 11.87145036 38.81614558 0.00000088 0.00000259 0.00000000 Cu 3.85804944 0.74537305 38.81614559 0.00000089 0.00000279 -0.00000008 Cu 12.85113563 10.38791916 40.91409902 0.00000130 0.00000420 -0.00000016 Cu 16.70532187 12.61313462 40.91409900 0.00000131 0.00000400 -0.00000010 Cu 15.42059311 10.38791915 40.91409901 0.00000145 0.00000427 -0.00000011 Cu 14.13586437 12.61313463 40.91409901 0.00000142 0.00000407 -0.00000004 Cu 15.42057982 8.90439324 43.01205230 0.00000178 0.00000547 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10.28177432 10.38826184 28.32637840 -0.00000129 -0.00000402 0.00000003 Cu 8.99704558 12.61347732 28.32637838 -0.00000130 -0.00000421 0.00000011 Cu 10.28175932 8.90473066 30.42433182 -0.00000088 -0.00000281 0.00000013 Cu 14.13594556 11.12994608 30.42433181 -0.00000090 -0.00000257 0.00000007 Cu 12.85121683 8.90473065 30.42433182 -0.00000103 -0.00000287 0.00000009 Cu 11.56648808 11.12994609 30.42433182 -0.00000102 -0.00000266 0.00000001 Cu 12.85120060 7.42119596 32.52228527 -0.00000058 -0.00000127 -0.00000008 Cu 16.70538683 9.64641145 32.52228526 -0.00000055 -0.00000152 -0.00000000 Cu 15.42065808 7.42119595 32.52228526 -0.00000042 -0.00000120 -0.00000002 Cu 14.13592934 9.64641143 32.52228525 -0.00000044 -0.00000141 0.00000006 Cu 15.42064123 5.93765957 34.62023869 0.00000008 -0.00000007 0.00000010 Cu 19.27482745 8.16287504 34.62023870 0.00000007 0.00000015 0.00000003 Cu 17.99009873 5.93765959 34.62023870 -0.00000009 -0.00000016 0.00000005 Cu 16.70536997 8.16287503 34.62023870 -0.00000006 0.00000006 -0.00000004 Cu 2.57333694 4.45412318 36.71819216 0.00000040 0.00000143 -0.00000013 Cu 6.42752317 6.67933866 36.71819214 0.00000043 0.00000119 -0.00000006 Cu 5.14279441 4.45412318 36.71819215 0.00000057 0.00000149 -0.00000008 Cu 3.85806566 6.67933865 36.71819214 0.00000056 0.00000128 0.00000001 Cu 5.14277818 2.97058853 38.81614558 0.00000104 0.00000265 0.00000004 Cu 8.99696442 5.19580395 38.81614558 0.00000101 0.00000289 -0.00000001 Cu 7.71223568 2.97058852 38.81614558 0.00000087 0.00000259 0.00000000 Cu 6.42750693 5.19580397 38.81614558 0.00000089 0.00000279 -0.00000008 Cu 7.71222066 1.48705732 40.91409902 0.00000129 0.00000420 -0.00000016 Cu 11.56640690 3.71227277 40.91409902 0.00000131 0.00000401 -0.00000011 Cu 10.28167814 1.48705730 40.91409901 0.00000144 0.00000427 -0.00000012 Cu 8.99694940 3.71227278 40.91409901 0.00000141 0.00000409 -0.00000005 Cu 10.28166487 0.00353140 43.01205229 0.00000176 0.00000548 0.00000000 Cu 14.13585109 2.22874684 43.01205233 0.00000176 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