504 Lattice="15.304831650955133 0.0 0.0 0.0 10.822150245308878 0.0 0.0 0.0 71.42254770445729" Properties=species:S:1:pos:R:3:forces:R:3 energy=-4042.3499178836983 stress="0.00398931625150159 7.293836887509966e-13 -2.9820813021693604e-06 7.293836887509966e-13 0.0017892228861772566 3.9760421479365715e-08 -2.9820813021693604e-06 3.9760421479365715e-08 -5.838132181206094e-11" free_energy=-4042.3499178836983 pbc="T T F" Cu 0.00619512 0.00654028 17.87981808 -0.00000962 0.00000024 -0.00000059 Cu 2.55700040 0.00654028 17.87981808 -0.00000966 0.00000023 -0.00000056 Cu 1.28159686 1.81023199 19.13214819 -0.00000948 0.00000062 -0.00000011 Cu 3.83240213 1.81023199 19.13214819 -0.00000960 0.00000071 -0.00000015 Cu 2.55699748 0.00654030 20.42143345 -0.00000942 0.00000010 0.00000202 Cu 5.10780275 0.00654030 20.42143345 -0.00000920 -0.00000008 0.00000177 Cu 3.83239732 1.81023204 21.68921047 -0.00000913 -0.00000087 -0.00000034 Cu 6.38320259 1.81023204 21.68921048 -0.00000869 -0.00000073 -0.00000072 Cu 5.10779614 0.00654035 22.96702460 -0.00000870 -0.00000044 -0.00000262 Cu 7.65860141 0.00654035 22.96702460 -0.00000823 -0.00000027 -0.00000270 Cu 6.38319416 1.81023207 24.24059093 -0.00000794 0.00000127 0.00000208 Cu 8.93399944 1.81023207 24.24059093 -0.00000803 0.00000105 0.00000185 Cu 7.65859136 0.00654039 25.51592152 -0.00000741 0.00000146 0.00000285 Cu 10.20939663 0.00654039 25.51592152 -0.00000709 0.00000140 0.00000285 Cu 8.93398784 1.81023217 26.79050321 -0.00000653 -0.00000124 -0.00000338 Cu 11.48479312 1.81023217 26.79050321 -0.00000644 -0.00000122 -0.00000361 Cu 10.20938367 0.00654051 28.06540177 -0.00000566 -0.00000123 -0.00000216 Cu 12.76018894 0.00654051 28.06540177 -0.00000544 -0.00000104 -0.00000202 Cu 11.48477892 1.81023225 29.34016616 -0.00000449 0.00000007 0.00000471 Cu 14.03558420 1.81023225 29.34016616 -0.00000487 -0.00000013 0.00000459 Cu 12.76017371 0.00654056 30.61498742 -0.00000369 0.00000304 0.00000051 Cu 0.00614734 0.00654056 30.61498742 -0.00000375 0.00000295 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0.00000922 -0.00000052 0.00000126 Cu 1.28144562 1.81023294 49.73216170 0.00000926 0.00000069 -0.00000128 Cu 3.83225089 1.81023294 49.73216170 0.00000936 0.00000049 -0.00000156 Cu 2.55684623 0.00654126 51.02144697 0.00000950 -0.00000120 -0.00000025 Cu 5.10765151 0.00654126 51.02144697 0.00000963 -0.00000116 -0.00000023 Cu 3.83224797 1.81023296 52.27377708 0.00000966 0.00000006 0.00000050 Cu 6.38305324 1.81023296 52.27377708 0.00000962 0.00000005 0.00000047 Cu 0.00619512 3.61392370 17.87981807 -0.00000967 -0.00000006 0.00000002 Cu 2.55700040 3.61392370 17.87981807 -0.00000962 -0.00000010 0.00000006 Cu 1.28159686 5.41761540 19.13214819 -0.00000952 0.00000056 0.00000017 Cu 3.83240213 5.41761541 19.13214819 -0.00000956 0.00000054 0.00000013 Cu 2.55699747 3.61392371 20.42143348 -0.00000925 0.00000027 -0.00000017 Cu 5.10780275 3.61392371 20.42143347 -0.00000925 0.00000026 -0.00000009 Cu 3.83239732 5.41761545 21.68921047 -0.00000904 -0.00000076 0.00000049 Cu 6.38320259 5.41761545 21.68921047 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3.61392404 30.61498743 -0.00000366 -0.00000304 0.00000026 Cu 14.03556812 5.41761578 31.88978453 -0.00000246 -0.00000073 0.00000492 Cu 1.28154175 5.41761578 31.88978453 -0.00000297 -0.00000105 0.00000513 Cu 0.00613061 3.61392406 33.16459204 -0.00000128 0.00000525 -0.00000019 Cu 2.55693589 3.61392406 33.16459204 -0.00000194 0.00000493 -0.00000012 Cu 1.28152459 5.41761590 34.43939492 -0.00000065 -0.00000170 -0.00000483 Cu 3.83232986 5.41761590 34.43939492 -0.00000047 -0.00000151 -0.00000432 Cu 2.55691850 3.61392426 35.71420029 0.00000081 -0.00000323 -0.00000009 Cu 5.10772378 3.61392426 35.71420029 0.00000028 -0.00000297 0.00000017 Cu 3.83231248 5.41761597 36.98900308 0.00000183 0.00000149 0.00000316 Cu 6.38311776 5.41761597 36.98900308 0.00000133 0.00000135 0.00000375 Cu 5.10770662 3.61392431 38.26381057 0.00000291 0.00000199 0.00000007 Cu 7.65851190 3.61392431 38.26381057 0.00000256 0.00000187 0.00000004 Cu 6.38310103 5.41761611 39.53860775 0.00000361 -0.00000133 -0.00000199 Cu 8.93390630 5.41761611 39.53860775 0.00000387 -0.00000141 -0.00000180 Cu 7.65849581 3.61392445 40.81342894 0.00000474 -0.00000164 -0.00000005 Cu 10.20930109 3.61392444 40.81342895 0.00000463 -0.00000131 -0.00000014 Cu 8.93389107 5.41761615 42.08819341 0.00000562 0.00000270 0.00000007 Cu 11.48469635 5.41761615 42.08819341 0.00000566 0.00000259 -0.00000007 Cu 10.20928690 3.61392454 43.36309199 0.00000626 -0.00000185 0.00000030 Cu 12.76009217 3.61392454 43.36309199 0.00000659 -0.00000197 0.00000008 Cu 11.48468338 5.41761626 44.63767359 0.00000712 -0.00000016 0.00000160 Cu 14.03548866 5.41761626 44.63767359 0.00000726 0.00000006 0.00000111 Cu 12.76008058 3.61392458 45.91300421 0.00000768 -0.00000012 -0.00000014 Cu 0.00605420 3.61392458 45.91300420 0.00000817 -0.00000008 0.00000011 Cu 14.03547860 5.41761630 47.18657060 0.00000845 0.00000208 -0.00000166 Cu 1.28145223 5.41761630 47.18657060 0.00000846 0.00000177 -0.00000176 Cu 0.00604577 3.61392467 48.46438469 0.00000885 -0.00000294 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