32 Lattice="9.516813278198242 0.0 0.0 0.0 9.516813278198242 0.0 0.0 0.0 9.516813278198242" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-43.30596197841404 pbc="F F F" Md 0.30492604 -0.00015271 0.14093442 101 -5.53225160 -1.39427528 -4.40746630 Md 2.29957714 2.44955575 0.11916040 101 -1.14734071 -0.05119024 -1.34232477 Md 2.28994247 0.03805607 2.36396786 101 8.33584501 -0.51346420 2.28097444 Md -0.17511333 2.61066108 2.51539433 101 -0.12484961 -0.98133885 -1.82973801 Md 4.67652710 0.02728944 -0.03705281 101 -0.21705576 -0.04186534 -0.07187382 Md 7.32806918 2.13214377 0.19492262 101 0.37202620 10.87440263 -12.53178380 Md 7.21094298 0.21149772 2.25459937 101 -0.60665666 -11.42864695 11.83156838 Md 4.64497742 2.41162891 2.40840826 101 0.11403834 -1.56010182 -2.72650530 Md -0.06839802 4.94340939 0.08130177 101 -1.62277082 -2.10792416 -3.22968526 Md 2.52704155 7.12969760 0.20283574 101 2.00929422 5.10614095 -7.89139974 Md 2.27797451 4.94092707 2.21847109 101 3.98584680 -9.41702304 5.28575703 Md 0.24449647 7.16056220 2.25464668 101 -6.39357676 6.70402313 3.63372368 Md 4.57880309 4.58717162 0.08090734 101 4.21698752 2.18887211 -2.37638142 Md 7.20094316 7.27267686 0.05127874 101 -0.68895051 -0.65960265 0.64304006 Md 7.06776206 4.52824808 2.36032759 101 0.82231689 1.62718793 -0.61506497 Md 4.67750086 7.35693384 2.54114815 101 2.08399669 2.26554876 -11.54147264 Md 0.00155801 -0.08860474 4.32562564 101 -3.34449802 -0.45233244 4.26018901 Md 2.47582383 2.50228517 4.57795202 101 -2.71235534 -0.53372199 2.84542401 Md 2.60822670 0.04520225 6.85502499 101 -2.84494754 -0.48109624 1.77726736 Md 0.07115931 2.29064621 7.13721172 101 0.13242109 0.23561647 -0.89156973 Md 4.96315408 -0.13618658 4.85940781 101 -2.63330867 -4.04174470 -4.29840206 Md 6.68838504 2.33756311 4.74317123 101 5.01926942 3.89659610 0.73645899 Md 6.89317121 0.35467625 7.29185774 101 3.05495605 -1.80495253 2.61946483 Md 4.66603297 2.56435594 7.32282287 101 -0.74691148 -3.63081351 0.49737789 Md 0.10643734 4.95982188 4.62929715 101 -1.06909158 -1.11661795 2.36354293 Md 2.62307130 7.00934730 4.57748340 101 -13.70432804 9.26111396 8.09090923 Md 2.51111312 4.65653837 7.19187018 101 -4.67951362 4.02676541 0.25159386 Md -0.00033229 7.08511330 7.09508685 101 0.51012365 0.37410066 0.35085947 Md 4.60492414 4.93454639 4.73189285 101 6.58755110 -11.53287053 -0.27507481 Md 6.89704371 6.98480927 4.43907318 101 8.56875330 1.76629735 5.40510686 Md 7.03710036 4.53008393 7.13295997 101 2.81804449 2.41358424 0.03061441 Md 4.91181548 7.09917956 7.11485825 101 -0.56306404 1.00933272 1.12487016