25 Lattice="-5.149488836650516 -2.973053273311579 0.0 -5.967418072728403e-05 5.946199618465072 0.0 5.80514322123335e-17 -8.009910612714853e-20 29.988842428406887" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-146.11895466568453 stress="-2.6498799425720818e-05 -5.009897595561459e-07 2.6334038158041985e-06 -5.009897595561459e-07 -3.836823437568682e-06 9.67492831068122e-06 2.6334038158041985e-06 9.67492831068122e-06 0.00018271441803929773" dipole="0.07607811248209921 -0.3773660341095776 2.5937480519929473e-06" magmom=2.1982567869866574 free_energy=-146.15958775704482 pbc="T T F" Zr -1.70504062 0.98544933 9.12941986 0 1.00000000 -0.00196364 0.00123055 0.00068246 0.01201382 Zr -1.71692531 2.97449288 11.51337128 0 1.00000000 0.00039520 -0.00025058 -0.00259249 0.04902589 Cl -3.42943297 1.98089262 7.39590829 0 1.00000000 0.00046076 0.00040441 0.00465805 0.00020643 Cl -3.38179975 1.95371519 13.34728220 0 1.00000000 -0.00142972 0.00026871 -0.00821652 0.00036211 Zr -3.43296140 0.00043896 18.47494564 1 1.00000000 -0.00044121 0.00041076 0.00255212 0.04902681 Zr -3.44495489 1.98992596 20.85890808 1 1.00000000 0.00197514 -0.00143671 -0.00067455 0.01200894 Cl -1.76807547 1.02116561 16.64099871 1 1.00000000 0.00141806 -0.00008434 0.00831792 0.00036269 Cl -1.72056580 0.99452929 22.59240633 1 1.00000000 -0.00040209 -0.00065546 -0.00469294 0.00020627 Zr -3.44503351 -1.98761853 9.12927500 0 1.00000000 0.00186749 0.00120916 0.00116620 0.01200822 Zr -3.43344243 0.00129979 11.51337239 0 1.00000000 0.00034801 0.00001519 -0.00258940 0.04902597 Cl -0.00038899 1.98774640 7.39591106 0 1.00000000 0.00027572 0.00060118 0.00472943 0.00020636 Cl -0.00040339 2.04283271 13.34761333 0 1.00000000 0.00012657 -0.00249834 -0.00833829 0.00036692 Zr -0.00011365 0.00027338 18.39903335 1 1.00000000 0.00018418 0.00084887 0.00577675 -0.00880255 Zr -0.00016813 1.96947727 20.85891406 1 1.00000000 0.00005355 0.00231376 -0.00067089 0.01205006 Cl -3.38162701 -1.95205485 16.64113904 1 1.00000000 -0.00128110 0.00012054 0.00769493 0.00036115 Cl -3.42941342 3.96751198 22.59244916 1 1.00000000 0.00067767 -0.00025193 -0.00481591 0.00020634 Zr -0.00033718 3.97896746 9.12940079 0 1.00000000 -0.00001862 -0.00256004 0.00068049 0.01204510 Zr -0.00029563 5.94765353 11.58930194 0 1.00000000 -0.00020787 -0.00060658 -0.00590108 -0.00880795 Cl -1.72059861 -0.99208725 7.39586814 0 1.00000000 -0.00062648 -0.00000614 0.00478495 0.00020644 Cl -1.76828761 4.92694289 13.34715924 0 1.00000000 0.00119005 0.00004175 -0.00760795 0.00036112 Zr -1.71648008 2.97362236 18.47494425 1 1.00000000 -0.00040463 0.00016993 0.00255159 0.04902687 Zr -1.70496306 4.96299131 20.85905039 1 1.00000000 -0.00180644 -0.00141084 -0.00115995 0.01200528 Cl -0.00000939 3.90509606 16.64075502 1 1.00000000 -0.00015552 0.00277795 0.00835166 0.00036488 Cl -0.00013035 3.96072370 22.59242076 1 1.00000000 -0.00021195 -0.00082721 -0.00477843 0.00020648 Zr -0.00016288 0.00080380 14.99414286 2 1.00000000 -0.00002330 0.00017624 0.00011724 1.06548252