504 Lattice="15.356421416581195 0.0 0.0 0.0 10.858629718422891 0.0 0.0 0.0 71.66329994404556" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1710.218880800274 stress="0.0035264635776570707 1.8841215983111202e-11 -2.1815425728728938e-06 1.8841215983111202e-11 0.0017671176724804716 1.9928967350265877e-07 -2.1815425728728938e-06 1.9928967350265877e-07 2.1065442905742957e-09" free_energy=-1710.218880800274 pbc="T T F" Cu 0.00665758 0.00652669 18.01947152 -0.00000974 0.00000079 0.00000025 Cu 2.56606133 0.00652665 18.01947181 -0.00000973 0.00000077 0.00000029 Cu 1.28635324 1.81629844 19.18558539 -0.00000957 0.00000071 0.00000027 Cu 3.84575680 1.81629847 19.18558599 -0.00000964 0.00000058 0.00000020 Cu 2.56603481 0.00652724 20.53809499 -0.00000886 0.00000058 0.00000024 Cu 5.12543839 0.00652726 20.53809577 -0.00000910 0.00000061 0.00000011 Cu 3.84571495 1.81629937 21.77142253 -0.00000836 0.00000070 0.00000014 Cu 6.40511853 1.81629938 21.77142337 -0.00000850 0.00000093 -0.00000018 Cu 5.12538270 0.00652853 23.07200231 -0.00000765 0.00000036 -0.00000009 Cu 7.68478627 0.00652855 23.07200284 -0.00000747 0.00000025 -0.00000030 Cu 6.40504693 1.81630096 24.33635791 -0.00000663 0.00000073 -0.00000009 Cu 8.96445055 1.81630096 24.33635804 -0.00000668 0.00000045 -0.00000009 Cu 7.68470314 0.00653037 25.62021785 -0.00000553 0.00000047 -0.00000025 Cu 10.24410675 0.00653033 25.62021749 -0.00000566 0.00000075 -0.00000006 Cu 8.96435606 1.81630308 26.89344330 -0.00000448 0.00000038 -0.00000042 Cu 11.52375962 1.81630310 26.89344265 -0.00000445 0.00000026 -0.00000033 Cu 10.24400435 0.00653269 28.17243836 -0.00000327 0.00000041 -0.00000015 Cu 12.80340792 0.00653271 28.17243765 -0.00000332 0.00000039 -0.00000004 Cu 11.52365023 1.81630568 29.44829795 -0.00000225 0.00000024 0.00000004 Cu 14.08305375 1.81630572 29.44829739 -0.00000194 0.00000033 0.00000010 Cu 12.80329406 0.00653548 30.72586393 -0.00000112 0.00000016 -0.00000000 Cu 0.00627616 0.00653552 30.72586363 -0.00000080 0.00000006 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39.66418447 0.00000454 -0.00000012 0.00000001 Cu 7.68406439 3.62609075 40.94175089 0.00000475 -0.00000033 -0.00000028 Cu 10.24346799 3.62609076 40.94175050 0.00000481 -0.00000029 -0.00000001 Cu 8.96372801 5.43586368 42.21761070 0.00000508 -0.00000008 -0.00000016 Cu 11.52313158 5.43586371 42.21761016 0.00000494 -0.00000011 0.00000006 Cu 10.24339572 3.62609330 43.49660579 0.00000502 -0.00000069 0.00000015 Cu 12.80279929 3.62609333 43.49660528 0.00000518 -0.00000059 0.00000024 Cu 11.52306826 5.43586603 44.76983099 0.00000497 -0.00000039 0.00000030 Cu 14.08247182 5.43586605 44.76983073 0.00000521 -0.00000070 0.00000023 Cu 12.80274435 3.62609540 46.05369056 0.00000519 -0.00000037 0.00000024 Cu 0.00572652 3.62609540 46.05369053 0.00000489 -0.00000038 -0.00000014 Cu 14.08242608 5.43586782 47.31804581 0.00000477 -0.00000057 -0.00000006 Cu 1.28540820 5.43586781 47.31804597 0.00000500 -0.00000037 -0.00000010 Cu 0.00568899 3.62609688 48.61862512 0.00000461 -0.00000043 0.00000019 Cu 2.56509254 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8.96380873 9.05540428 39.66418445 0.00000436 -0.00000028 0.00000015 Cu 7.68406438 7.24563402 40.94175086 0.00000499 -0.00000026 -0.00000017 Cu 10.24346794 7.24563405 40.94175048 0.00000475 -0.00000046 0.00000022 Cu 8.96372802 9.05540700 42.21761070 0.00000481 -0.00000037 -0.00000032 Cu 11.52313158 9.05540698 42.21761016 0.00000520 -0.00000047 0.00000005 Cu 10.24339569 7.24563659 43.49660579 0.00000516 -0.00000071 -0.00000011 Cu 12.80279927 7.24563656 43.49660534 0.00000504 -0.00000037 -0.00000014 Cu 11.52306827 9.05540926 44.76983102 0.00000511 -0.00000020 0.00000026 Cu 14.08247184 9.05540923 44.76983074 0.00000506 -0.00000022 0.00000004 Cu 12.80274437 7.24563863 46.05369059 0.00000486 -0.00000056 0.00000042 Cu 0.00572651 7.24563862 46.05369058 0.00000514 -0.00000051 0.00000018 Cu 14.08242605 9.05541110 47.31804578 0.00000495 -0.00000070 0.00000016 Cu 1.28540818 9.05541114 47.31804591 0.00000488 -0.00000074 0.00000011 Cu 0.00568901 7.24564018 48.61862513 0.00000480 -0.00000033 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6.40484301 9.05539215 29.44829852 -0.00000221 0.00000052 -0.00000016 Cu 8.96424662 9.05539215 29.44829858 -0.00000197 0.00000039 -0.00000021 Cu 7.68448683 7.24562199 30.72586494 -0.00000084 0.00000012 -0.00000011 Cu 10.24389045 7.24562199 30.72586457 -0.00000091 0.00000035 0.00000006 Cu 8.96413003 9.05539505 32.00249579 0.00000014 0.00000006 -0.00000050 Cu 11.52353364 9.05539504 32.00249517 0.00000013 0.00000011 -0.00000032 Cu 10.24377324 7.24562497 33.27965072 0.00000116 0.00000003 -0.00000033 Cu 12.80317686 7.24562497 33.27965006 0.00000118 -0.00000003 -0.00000005 Cu 11.52341756 9.05539811 34.55649030 0.00000215 0.00000014 0.00000024 Cu 14.08282113 9.05539813 34.55648981 0.00000210 0.00000005 0.00000024 Cu 12.80306367 7.24562808 35.83355758 0.00000285 0.00000009 0.00000014 Cu 0.00604584 7.24562810 35.83355736 0.00000291 0.00000000 0.00000005 Cu 14.08271231 9.05540124 37.11039736 0.00000366 -0.00000011 0.00000020 Cu 1.28569448 9.05540125 37.11039742 0.00000341 -0.00000004 0.00000022 Cu 0.00594265 7.24563117 38.38755259 0.00000411 -0.00000016 0.00000020 Cu 2.56534623 7.24563117 38.38755284 0.00000403 -0.00000008 0.00000057 Cu 1.28559804 9.05540422 39.66418364 0.00000459 -0.00000039 -0.00000006 Cu 3.84500161 9.05540425 39.66418407 0.00000441 -0.00000049 -0.00000008 Cu 2.56525729 7.24563402 40.94175014 0.00000478 -0.00000036 -0.00000009 Cu 5.12466086 7.24563402 40.94175062 0.00000466 -0.00000042 -0.00000017 Cu 3.84492088 9.05540693 42.21761035 0.00000493 -0.00000020 0.00000022 Cu 6.40432443 9.05540698 42.21761077 0.00000510 -0.00000020 -0.00000000 Cu 5.12458858 7.24563656 43.49660596 0.00000505 -0.00000053 0.00000002 Cu 7.68399213 7.24563658 43.49660616 0.00000502 -0.00000054 -0.00000019 Cu 6.40426109 9.05540929 44.76983164 0.00000512 -0.00000033 -0.00000009 Cu 8.96366468 9.05540928 44.76983153 0.00000504 -0.00000028 0.00000013 Cu 7.68393720 7.24563866 46.05369141 0.00000505 -0.00000058 0.00000005 Cu 10.24334078 7.24563865 46.05369104 0.00000509 -0.00000061 0.00000011 Cu 8.96361892 9.05541108 47.31804658 0.00000488 -0.00000057 -0.00000029 Cu 11.52302249 9.05541107 47.31804607 0.00000493 -0.00000059 -0.00000009 Cu 10.24330328 7.24564014 48.61862557 0.00000478 -0.00000046 0.00000009 Cu 12.80270687 7.24564015 48.61862516 0.00000475 -0.00000054 -0.00000011 Cu 11.52299442 9.05541228 49.85195252 0.00000439 -0.00000063 0.00000020 Cu 14.08239794 9.05541235 49.85195227 0.00000504 -0.00000077 0.00000009 Cu 12.80268657 7.24564106 51.20446160 0.00000455 -0.00000069 0.00000018 Cu 0.00566866 7.24564111 51.20446158 0.00000467 -0.00000055 0.00000003 Cu 14.08238529 9.05541287 52.37057544 0.00000477 -0.00000073 0.00000008 Cu 1.28536738 9.05541288 52.37057560 0.00000462 -0.00000075 -0.00000002