864 Lattice="15.304701353972959 0.0 0.0 15.304701353972959 18.74435449145829 0.0 0.0 0.0 70.68938757266493" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2900.8957910336926 stress="-0.0008396478314268387 -3.767445629853173e-09 -6.974933348609708e-09 -3.767445629853173e-09 0.0006459959616052128 -2.8793727789348013e-06 -6.974933348609708e-09 -2.8793727789348013e-06 -5.913511857945446e-07" free_energy=-2900.8957910336926 pbc="T T F" Cu 0.00125677 -0.28322154 17.42805025 0.00000003 -0.00000934 -0.00000194 Cu 3.82743208 1.99274011 18.19248394 -0.00000002 -0.00000923 -0.00000185 Cu 2.55204033 -0.28322154 17.42805025 -0.00000008 -0.00000935 -0.00000195 Cu 6.37821564 1.99274011 18.19248394 -0.00000003 -0.00000936 -0.00000202 Cu 17.85674164 16.57828621 19.09292334 -0.00000012 -0.00000924 -0.00000196 Cu 6.37821562 -0.02728755 19.82812507 -0.00000013 -0.00000924 -0.00000209 Cu 20.40752519 16.57828621 19.09292334 0.00000007 -0.00000920 -0.00000180 Cu 8.92899918 -0.02728756 19.82812506 0.00000009 -0.00000891 -0.00000168 Cu 20.40752519 14.55014100 20.58206065 -0.00000020 -0.00000885 -0.00000162 Cu 24.23370049 16.65083334 21.35437677 0.00000046 -0.00000873 -0.00000175 Cu 22.95830874 14.55014101 20.58206066 0.00000016 -0.00000914 -0.00000205 Cu 26.78448408 16.65083334 21.35437677 -0.00000049 -0.00000896 -0.00000193 Cu 22.95830868 12.48991302 22.08180950 0.00000102 -0.00000885 -0.00000220 Cu 26.78448408 14.57551092 22.82047886 -0.00000096 -0.00000818 -0.00000131 Cu 10.20439096 12.48991300 22.08180947 -0.00000106 -0.00000821 -0.00000120 Cu 14.03056622 14.57551094 22.82047889 0.00000091 -0.00000867 -0.00000207 Cu 10.20439098 10.41225863 23.57020736 -0.00000255 -0.00000765 -0.00000105 Cu 14.03056616 12.49684942 24.29939773 0.00000160 -0.00000827 -0.00000284 Cu 12.75517437 10.41225866 23.57020741 0.00000250 -0.00000872 -0.00000249 Cu 16.58134983 12.49684936 24.29939765 -0.00000163 -0.00000651 -0.00000042 Cu 12.75517429 8.33123540 25.03676726 0.00000376 -0.00000755 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15.30595740 12.49761255 35.34819123 0.00000694 -0.00000124 -0.00000198 Cu 19.13213306 14.58030717 36.08478135 -0.00000368 0.00000331 0.00000327 Cu 17.85674142 12.49761246 35.34819111 -0.00000692 0.00000136 0.00000180 Cu 21.68291638 14.58030733 36.08478156 0.00000366 -0.00000121 -0.00000301 Cu 17.85674138 10.41485334 36.82136186 -0.00000753 0.00000259 0.00000144 Cu 21.68291635 12.49754262 37.55711485 0.00000284 -0.00000069 -0.00000339 Cu 20.40752444 10.41485340 36.82136193 0.00000753 0.00000089 -0.00000075 Cu 24.23370010 12.49754243 37.55711458 -0.00000283 0.00000493 0.00000456 Cu 20.40752442 8.33215333 38.29387849 0.00000650 0.00000251 0.00000031 Cu 8.92899864 10.41477484 39.03054801 -0.00000145 0.00000603 0.00000464 Cu 7.65360706 8.33215332 38.29387847 -0.00000649 0.00000288 0.00000076 Cu 11.47978210 10.41477502 39.03054828 0.00000150 0.00000061 -0.00000326 Cu 7.65360694 6.24936956 39.76584020 -0.00000447 0.00000337 0.00000025 Cu 11.47978210 8.33215817 40.50310813 0.00000003 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