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=930171.4243766958 stress="-3321452.1963571697 830990.3041589845 -738724.4846756071 830990.3041589845 -4561458.299302135 -116991.28119288385 -738724.4846756071 -116991.28119288385 -3350583.173826807" pbc="F F F" U -0.15227344 -0.06567791 -0.11685959 -8707.96942270 -4661.93297237 -11167.34828060 U 1.59372096 1.42232211 -0.10118800 -642356.81489348 647479.52149121 -106737.52067960 U 1.23533376 -0.04184914 1.40305300 30685.49023112 -52188.74766004 15006.23298113 U -0.02197335 1.22188117 1.61338086 -54993.07087001 34149.40933163 -142.68122749 U 2.56961188 0.35661338 0.03529316 619857.06161875 -678232.59878595 66495.75639214 U 4.41678432 1.29435094 0.18511760 3781.48026980 95130.66779733 -117074.06433616 U 4.61824739 0.17101995 1.39490127 23119.64454122 -112667.63881643 105057.70795406 U 2.81263043 1.61681768 1.74405351 215696.75816753 -118522.23290589 -142798.36045681 U 0.21781597 3.16575091 0.00591519 -21858.65935362 -31176.64332822 -32567.84067463 U 1.73508041 4.44144447 -0.27579039 15113.32884597 10550.74750978 -13404.24844966 U 1.31146832 2.80016507 1.71381129 106553.66538332 370014.49209242 -678658.63587390 U 0.42058281 4.49459575 1.28069198 -13945.15998277 60029.03747261 928.94686395 U 2.94521570 2.58732345 0.34604025 25715.07348432 96708.99443913 -86800.34339283 U 4.67934110 4.66327044 -0.15848519 574.24425487 10056.51040285 -10905.43707220 U 4.65901617 3.30489844 1.30179296 19749.58062287 -18046.01196477 -9887.38615615 U 2.81969077 4.46722135 1.72838253 -67460.86446204 18796.43973967 -84581.50940574 U -0.12987603 0.07855513 3.45408605 -24572.68909695 -969631.01192087 -383072.36958782 U 1.59893397 1.76591251 2.74043864 -107898.08026219 -499890.11963815 559338.25207445 U 1.46828613 0.13885047 4.59363822 2968.60695632 -7044.43148056 23451.15505787 U -0.11756013 1.41743782 3.97758689 -3802.01477997 964906.46278758 381800.76326378 U 2.91085370 0.09779045 3.22714341 -45325.81367765 -65512.02218523 -70319.22739079 U 4.27812523 1.48217208 2.93532666 209821.76865473 -211246.40212289 -69993.43832523 U 4.56509964 0.15810741 4.09229776 154328.08093097 -141439.36489590 14678.11615039 U 3.33919507 1.18540781 4.55150733 -101191.12844891 128758.81886968 124612.77981931 U 0.21050593 3.26967993 2.71884773 -284539.11916046 65686.07094393 231455.05348577 U 1.42224017 4.60989379 3.06475631 43030.42586644 34329.02828233 5765.36951050 U 1.76613849 2.55457462 4.23206370 3481.53258177 59859.98315432 114194.64537970 U 0.05713735 4.70109725 4.31777660 -28041.61891186 5576.89372964 29258.80575738 U 3.42219971 2.79832954 3.04188818 -1186162.09724983 -278397.75248271 -779970.76289039 U 4.09805024 4.28571073 2.84606813 67704.20764826 429695.73495772 -208634.41269699 U 4.43056271 3.22757674 3.92753125 1054907.56416419 149517.31688880 1124472.32370388 U 3.11433577 4.67571730 4.68150369 -6233.41365001 7410.78126936 10199.67850268