32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=7644.536192162325 stress="-0.5382261749543635 -0.03869742132843684 -0.10378935210972176 -0.03869742132843684 -0.4322651524205242 0.04986692127866848 -0.10378935210972176 0.04986692127866848 -0.40654052916695693" free_energy=7644.536192162325 pbc="F F F" Fe 20.96012898 20.97877923 21.09698435 -291.35755165 -114.70846321 -379.27941984 Fe 22.37057725 22.71854938 21.12427034 -263.70388436 -4035.11333301 -3314.61751884 Fe 22.38567761 20.95410342 22.33108328 438.54850799 -327.99836235 141.86484516 Fe 20.91430353 22.14532183 22.71071086 -462.23412328 341.50019006 -145.79576317 Fe 24.03268180 20.92775202 20.89890538 -5078.51993468 -5496.85764660 -469.58596508 Fe 25.05293231 22.03707527 20.97523118 5132.72586396 5405.05169063 -223.70436451 Fe 25.59324583 20.81105418 22.28004090 183.97135157 -278.82880826 343.87475506 Fe 23.91141849 22.76123893 22.33343832 796.00024025 -4223.55858618 3664.90954410 Fe 21.01176024 23.78375542 20.90984285 -996.41500124 613.65025563 -213.31932921 Fe 22.30144164 25.37824718 21.26340960 171.67878846 439.09553408 -548.98742602 Fe 22.63439857 23.81254230 22.20832124 -1623.76873420 4008.09390193 3780.27106508 Fe 21.12357611 25.48297211 22.73179797 -4998.37961270 1122.76800512 -2868.04650670 Fe 23.99974924 23.77324713 21.12538888 89.62419245 2852.37486918 -4522.35048239 Fe 25.62825961 25.01470369 21.02269944 221.54416109 1020.72116464 -741.85884958 Fe 25.43620594 23.65236314 22.07022218 1620.45848676 -475.76952982 1314.50797983 Fe 23.81655754 25.24103315 22.85082612 4045.62367077 2177.10307605 -4710.65358883 Fe 20.99746243 21.13166577 24.36317844 -1240.41858757 -1508.61471621 -1488.13153401 Fe 22.51654656 22.35322743 23.76589351 177.45181053 186.40303655 90.19276419 Fe 22.23521359 21.29225293 25.52566754 1891.62055913 -916.98905557 1281.25125820 Fe 21.12149653 22.57446331 25.27616692 -1018.27112385 1885.37254358 737.76433630 Fe 24.12360486 21.29827882 24.26664297 -3827.59809384 -524.09285180 -4567.29356025 Fe 25.56800477 22.68560484 23.88470901 292.78002167 38.42736821 -125.98596075 Fe 25.23306583 20.96299065 25.29142481 3925.53932947 -1307.95046673 3577.95836497 Fe 24.16612385 22.66706282 25.23245069 -433.96415317 748.28004759 1073.21420902 Fe 21.26411387 24.06510254 24.01215903 -1016.77668482 -969.77412810 308.07200330 Fe 22.41424486 25.24555496 23.53978873 839.81500840 636.38511378 4571.65522810 Fe 22.64681126 23.79008326 25.44054908 -491.24839643 -25.47968654 635.46358460 Fe 20.98084080 25.67883087 25.34240102 -17.27647510 57.62031804 54.84874764 Fe 23.78751193 24.23446188 24.09787063 869.27317735 -2386.61318179 2059.75995708 Fe 25.53701562 25.62210117 23.46941785 398.33128019 97.58118812 143.54166063 Fe 25.37792410 23.85355620 25.77227126 570.07080242 553.10060980 282.14346775 Fe 23.64551933 25.45771698 25.55506736 94.87510447 408.81990318 258.31649814