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:Z:I:1:forces:R:3 energy=800065.8507842819 pbc="F F F" Sc -0.21782978 0.14320524 0.22033208 21 -6213.23263217 -10835.26178860 -4556.95139101 Sc 1.16866458 1.53818165 0.05376435 21 17917.08243620 -16064.56783610 -17721.67967530 Sc 1.57631552 -0.13113954 1.45621278 21 -17471.94920379 -5726.93233478 -12443.29727075 Sc -0.14593842 1.77300467 1.29424876 21 -15727.10201849 -25901.46684578 50653.91039206 Sc 2.91664752 -0.02953766 0.10798684 21 -120241.10229553 -39714.53877232 -112937.68011724 Sc 4.10217865 1.95727785 0.33397493 21 653219.81117231 -239672.19696245 -59090.13968021 Sc 4.07828105 0.31635276 1.05963274 21 131455.52222561 12384.32999739 113004.27323364 Sc 2.87189700 1.89200118 1.28333428 21 -61148.71131592 -874677.92490687 1665262.02600525 Sc -0.11033939 2.87356217 0.00441342 21 -16647.86739898 39118.94151474 -42070.22303843 Sc 1.41664666 4.35708308 0.31384352 21 -186054.79032110 1621602.41460473 -1101590.31335975 Sc 1.52422597 3.29944448 1.02157137 21 139112.32439990 -1606598.70358864 1102843.69697260 Sc -0.29340203 4.20800125 1.79508557 21 -192725.55379940 548905.62875501 -524441.72511071 Sc 2.83103461 2.51327507 0.15837516 21 -572560.99512709 1096067.45775623 -1662618.64809637 Sc 4.68253964 4.51963596 0.17649326 21 2670.72444606 2825.50097534 -4073.07127641 Sc 4.57255344 3.01960540 1.57910102 21 17645.23230683 25675.97737204 34452.40729622 Sc 2.88520158 4.62212991 1.26791252 21 26166.70336885 12375.98520957 15946.50753889 Sc 0.11442412 0.06081878 2.94726890 21 -31750.94322732 -4265.24512126 -23157.33963274 Sc 1.39672923 1.45842915 3.20289111 21 -1195.74882511 19283.60882880 -18540.56469114 Sc 1.32585451 -0.13667588 4.19017479 21 9774.81247381 -20968.56241672 43611.93437639 Sc 0.12257504 1.39326826 4.76103458 21 -22950.05341908 -13466.78591295 8236.73230307 Sc 2.59189127 0.07660775 2.91773286 21 35305.32807092 -10064.89596959 -1947.64425436 Sc 4.34417013 1.45379916 3.50381933 21 192915.61881165 -111441.57035548 -300083.45856909 Sc 4.20936218 -0.09141479 4.48012226 21 21311.75206924 -43651.13286194 11134.59259409 Sc 3.15937637 1.28880750 4.42967854 21 -257974.07498616 -78040.23317685 125704.42866931 Sc 0.03402002 3.24579061 2.71496613 21 85660.68487078 -625075.46398256 491481.20335504 Sc 1.21178333 4.20461420 3.11507135 21 114851.64643941 79303.91288178 14510.63360379 Sc 1.36839795 2.66522769 4.60887507 21 11788.14279098 22964.03716442 14871.22546890 Sc 0.23933953 4.51501898 4.56940126 21 -15305.79317922 6838.01548646 22448.45964517 Sc 2.98339921 3.15231151 3.59030188 21 -66803.05317846 -44859.40878332 -19112.77780128 Sc 4.03415040 4.32967442 3.09371590 21 63687.39238824 41690.72321760 -51591.15240162 Sc 4.20167271 2.48145745 4.60270083 21 79848.49269143 214503.51282796 194940.29155890 Sc 3.17153734 4.67369201 4.53579965 21 -18560.30003443 27484.84502413 46874.34335311