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=1253971.606457248 stress="-6377477.643058236 2228127.8330881763 -1522252.3101109667 2228127.8330881763 -3904354.7075382457 517583.703127027 -1522252.3101109667 517583.703127027 -4885209.097885357" pbc="F F F" Lu 0.29399290 -0.10401107 0.03558813 -21082.44039849 -54897.16595617 -47190.57289374 Lu 1.29925967 1.53127328 0.18704187 109356.79592551 83192.37399267 -175764.53442007 Lu 1.37339670 0.46582175 1.59616855 2341429.43806238 -1407782.64524496 431668.02200080 Lu 0.22214197 1.13535276 1.40827773 -2437017.03190784 1351245.52722182 -242568.12947547 Lu 3.25694938 -0.19201919 0.12405031 -201889.86139732 -110483.79243102 -189486.76905948 Lu 4.29084505 1.27243118 0.19049494 319494.36452367 199519.59460738 -451997.42344566 Lu 4.34269779 0.10385761 1.28452318 208941.80833462 -196425.99563525 370517.51943850 Lu 3.13990545 1.48248028 1.22299059 -311618.24100635 74351.17239662 271935.54289266 Lu 0.15466471 3.11510159 -0.01794344 -15220.31233729 9947.24416042 -8661.72342428 Lu 1.92034671 4.47678205 -0.08987558 -131273.99509182 211421.87832699 -52797.20777117 Lu 1.70778170 3.09745079 1.87712527 30717.19533866 -18486.17159748 -66142.69027031 Lu 0.11635029 4.47951689 1.61321772 -12050.93531245 24987.97589382 -15140.31391362 Lu 2.73443974 3.10382054 0.17875545 74771.98429638 -235504.19890068 -42319.89872245 Lu 4.17460766 4.44613206 0.07782868 127840.84880792 74223.82905102 -210157.72876707 Lu 4.20098354 3.17688000 1.33788644 531566.93645001 -533650.64035955 -87004.29430990 Lu 3.24303038 4.32564241 1.42813861 -508830.01710048 564172.28954650 211587.47269096 Lu 0.22069954 -0.08184664 3.14837016 -22035.62912313 -23136.81009002 -2360.29168139 Lu 1.78151701 1.46264050 3.26845708 -587092.50723516 -138158.30499144 -703637.48415505 Lu 1.47551024 0.35061954 4.64014808 120353.56131687 -191232.39094085 98089.94374996 Lu 0.30553370 1.48656135 4.46037205 -227074.80509609 26214.19900271 22283.78704089 Lu 2.89475362 0.01534534 3.27979269 -93229.99127589 -42521.80707070 -108647.41034009 Lu 4.15728033 1.64294846 3.33008946 135855.96903058 -217348.88148346 -146103.78277780 Lu 4.23437466 -0.17029065 4.25869891 132151.24975409 -29623.88900367 101170.33956726 Lu 2.75275528 1.79765848 4.31062654 503532.73242208 213140.36075778 717560.33937636 Lu 0.39080266 3.17592426 3.01115873 -739992.15920260 151432.37029220 -1272976.18772367 Lu 1.76054130 4.71053598 3.11020574 -3221.46815348 31246.74936659 -7826.69534094 Lu 1.01204924 3.01337393 4.26392135 731242.50571792 -80871.83548357 1329696.42142111 Lu -0.01493975 4.51636014 4.47168094 -32494.73272726 48240.35242776 17131.67098088 Lu 3.36644008 3.07033051 2.80837103 -121340.03111553 35361.65969276 70984.49497001 Lu 4.37786759 4.56376467 3.23084472 39577.20201420 47341.39922600 -561.81784055 Lu 4.31503880 2.87291881 4.43531755 92164.15390368 103500.08959072 148268.47275968 Lu 2.94952885 4.09513742 4.52045844 -33532.58741742 30585.46363508 40450.92944359