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=77712.75506108424 stress="-289489.42761890683 -20326.40780934051 3309.079521569278 -20326.40780934051 -354497.8757434296 129885.8946368285 3309.079521569278 129885.8946368285 -310227.503902473" pbc="F F F" Fm 0.24120959 0.08023755 -0.15670480 -12582.45323384 -13692.89576127 -2535.00893796 Fm 1.36201176 1.30729806 0.04813626 12449.22967329 13360.49224923 457.73080856 Fm 1.69089008 -0.07593747 1.66066082 -7251.16720530 -20721.33160159 -11836.79402697 Fm 0.01022063 1.73652178 1.63870678 -41132.44773004 -34613.24768909 -5555.90820280 Fm 3.31369461 -0.24688097 -0.00371448 -8754.55142918 -9614.93938122 -2012.77147380 Fm 4.47055367 1.04257951 0.01354565 8483.74887995 13791.13886832 -11600.33123651 Fm 4.41568318 0.28007684 1.56266321 4130.53520391 -10494.59369373 9657.00848323 Fm 2.79557502 1.24080308 1.68816324 19374.72119806 13764.19844690 -17853.68029826 Fm -0.13712562 3.06849437 0.00919318 -1006.81627636 -388.12998285 -2273.78146066 Fm 1.53771662 4.41056899 -0.22458750 -9079.56099983 10838.22643247 -4985.50646888 Fm 1.15106937 2.77496463 1.75043892 37650.02569900 33683.92558589 -1484.15182444 Fm -0.20999576 4.18389271 1.70334527 -2129.77082384 2696.46389245 867.71100431 Fm 2.62993605 3.22439376 0.32262690 8577.50298853 -11450.68088158 2633.03450163 Fm 4.46419193 4.17582101 0.24006156 1998.68618766 1262.72824381 -1964.19179938 Fm 4.43486338 2.56704996 1.52141035 403.38977845 86853.06435198 -127640.32568183 Fm 3.18153369 4.47956400 1.77745566 16412.51288322 8141.94426848 -12276.02335745 Fm 0.29586363 0.21157949 2.97061606 -23197.20493150 -17996.41327353 4956.28575248 Fm 1.54618905 1.23430148 2.78036043 -6962.29200294 33595.71997556 15881.70888607 Fm 1.61006178 0.04587897 4.64697668 -2745.25461576 -1590.73517553 4378.83006558 Fm -0.06546220 1.51476190 4.71750499 -3449.76481616 -8543.58105499 9552.14380506 Fm 2.78375329 0.19023998 3.20041957 16976.91064717 -16099.43348192 5849.47340735 Fm 4.44259109 1.77082651 2.70116655 3190.56538479 -86520.97962131 126430.94135195 Fm 4.51189135 0.18595636 4.41223649 6255.40247890 -5330.88154972 -255.08346213 Fm 3.20755745 1.39605268 4.63231478 -6611.62833534 2736.11190798 4786.10031771 Fm 0.21177321 2.67371870 3.46890970 -5003.11987147 8173.71952587 -10282.21772931 Fm 1.78926804 4.30058105 2.68481291 -62091.05404640 58035.83888098 -2212.48130097 Fm 1.61840274 2.69091894 4.60574405 4547.90643664 893.59835072 5464.52034464 Fm 0.15401882 4.47607123 4.44136853 -360.15027587 1345.89528918 719.00225010 Fm 2.73428862 3.16023440 2.94790860 46746.52142083 -60592.92112392 16537.97145962 Fm 4.72248530 4.60983668 3.29456343 820.09848046 924.48508118 -33.95913756 Fm 4.37244123 2.75837446 4.22574623 3773.17070015 6532.40856488 5026.25747069 Fm 2.67838655 4.66896632 4.50502917 566.30855283 1020.80435636 1603.49648992