32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=7644.536192162295 stress="-39876.10085001874 -2867.0145513811194 -7689.545519105219 -2867.0145513811194 -32025.660612531676 3694.540463694 -7689.545519105219 3694.540463694 -30119.774724921517" pbc="F F F" Fe -0.03987102 -0.02122077 0.09698435 -291.35755165 -114.70846321 -379.27941984 Fe 1.37057725 1.71854938 0.12427034 -263.70388436 -4035.11333301 -3314.61751884 Fe 1.38567761 -0.04589658 1.33108328 438.54850799 -327.99836235 141.86484516 Fe -0.08569647 1.14532183 1.71071086 -462.23412328 341.50019006 -145.79576317 Fe 3.03268180 -0.07224798 -0.10109462 -5078.51993468 -5496.85764660 -469.58596508 Fe 4.05293231 1.03707527 -0.02476882 5132.72586396 5405.05169063 -223.70436451 Fe 4.59324583 -0.18894582 1.28004090 183.97135157 -278.82880826 343.87475506 Fe 2.91141849 1.76123893 1.33343832 796.00024025 -4223.55858618 3664.90954410 Fe 0.01176024 2.78375542 -0.09015715 -996.41500124 613.65025563 -213.31932921 Fe 1.30144164 4.37824718 0.26340960 171.67878846 439.09553408 -548.98742602 Fe 1.63439857 2.81254230 1.20832124 -1623.76873420 4008.09390193 3780.27106508 Fe 0.12357611 4.48297211 1.73179797 -4998.37961270 1122.76800512 -2868.04650670 Fe 2.99974924 2.77324713 0.12538888 89.62419245 2852.37486918 -4522.35048239 Fe 4.62825961 4.01470369 0.02269944 221.54416109 1020.72116464 -741.85884958 Fe 4.43620594 2.65236314 1.07022218 1620.45848676 -475.76952982 1314.50797983 Fe 2.81655754 4.24103315 1.85082612 4045.62367077 2177.10307605 -4710.65358883 Fe -0.00253757 0.13166577 3.36317844 -1240.41858757 -1508.61471621 -1488.13153401 Fe 1.51654656 1.35322743 2.76589351 177.45181053 186.40303655 90.19276419 Fe 1.23521359 0.29225293 4.52566754 1891.62055913 -916.98905557 1281.25125820 Fe 0.12149653 1.57446331 4.27616692 -1018.27112385 1885.37254358 737.76433630 Fe 3.12360486 0.29827882 3.26664297 -3827.59809384 -524.09285180 -4567.29356025 Fe 4.56800477 1.68560484 2.88470901 292.78002167 38.42736821 -125.98596075 Fe 4.23306583 -0.03700935 4.29142481 3925.53932947 -1307.95046673 3577.95836497 Fe 3.16612385 1.66706282 4.23245069 -433.96415317 748.28004759 1073.21420902 Fe 0.26411387 3.06510254 3.01215903 -1016.77668482 -969.77412810 308.07200330 Fe 1.41424486 4.24555496 2.53978873 839.81500840 636.38511378 4571.65522810 Fe 1.64681126 2.79008326 4.44054908 -491.24839643 -25.47968654 635.46358460 Fe -0.01915920 4.67883087 4.34240102 -17.27647510 57.62031804 54.84874764 Fe 2.78751193 3.23446188 3.09787063 869.27317735 -2386.61318179 2059.75995708 Fe 4.53701562 4.62210117 2.46941785 398.33128019 97.58118812 143.54166063 Fe 4.37792410 2.85355620 4.77227126 570.07080242 553.10060980 282.14346775 Fe 2.64551933 4.45771698 4.55506736 94.87510447 408.81990318 258.31649814