25 Lattice="6.798500244674502 -0.00026597601924712263 0.0 -3.3994804787740014 5.8878610321008225 0.0 -2.215520356284931e-16 6.4462670166811794e-21 25.416754984894133" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-132.1705541823648 stress="7.839474613268184e-06 -1.1338916159809477e-05 2.565756432825883e-06 -1.1338916159809477e-05 6.506309455337323e-06 -6.609263725580944e-07 2.565756432825883e-06 -6.609263725580944e-07 0.00010804259781673322" dipole="0.01180980847539159 0.003654517870678637 -8.122868471675535e-07" magmom=2.0848589019640706 free_energy=-132.19953029332612 pbc="T T F" Zr -0.00018308 -0.02741862 9.18678725 0 1.00000000 0.00011693 -0.00032235 -0.00136599 0.02203323 Cl 1.67153656 0.99755484 10.98890294 0 1.00000000 0.00792852 -0.00452610 0.00226173 0.00001189 Cl 1.70576665 0.97776445 7.48426961 0 1.00000000 0.00246332 -0.00149689 -0.00166455 0.00007030 Zr -0.00000476 0.02725375 16.23028041 1 1.00000000 0.00019565 0.00051568 0.00136039 0.02203835 Cl -0.00003764 1.96221272 14.47568649 1 1.00000000 -0.00032313 0.00006689 -0.00335380 -0.00060655 Cl -0.00001548 1.96217727 17.97858210 1 1.00000000 -0.00038079 0.00014776 -0.00226164 -0.00040495 Zr -1.72380480 2.95789602 9.18674172 0 1.00000000 -0.00059530 0.00044997 -0.00138153 0.02214300 Cl -0.00030310 3.89306314 10.98875327 0 1.00000000 0.00012564 0.00908317 0.00219818 0.00002606 Cl -0.00028121 3.93261848 7.48425222 0 1.00000000 0.00011431 0.00302482 -0.00152257 0.00007109 Zr -1.67579015 2.92977154 16.23034661 1 1.00000000 0.00079059 -0.00003321 0.00136630 0.02214079 Cl -1.72773961 4.89001137 14.42821263 1 1.00000000 0.00771383 0.00461441 -0.00229285 0.00001285 Cl -1.69346149 4.90980526 17.93280173 1 1.00000000 0.00215201 0.00155485 0.00161133 0.00007052 Zr 3.39906670 0.00006861 9.21802844 0 1.00000000 0.00002887 -0.00004346 0.00403467 -0.01465380 Cl 5.12652652 0.99741629 10.98894688 0 1.00000000 -0.00739900 -0.00440246 0.00192566 0.00001202 Cl 5.09238211 0.97765531 7.48428974 0 1.00000000 -0.00243514 -0.00166868 -0.00178970 0.00007021 Zr 3.39922858 -0.00040497 16.19903943 1 1.00000000 0.00026439 -0.00014612 -0.00399805 -0.01465233 Cl 3.39914494 1.99450085 14.42835488 1 1.00000000 -0.00007928 -0.00914166 -0.00216998 0.00002728 Cl 3.39917626 1.95489912 17.93281314 1 1.00000000 -0.00022944 -0.00318142 0.00168063 0.00007119 Zr 1.72328428 2.95776333 9.18673765 0 1.00000000 0.00023749 0.00041100 -0.00149658 0.02213336 Cl 3.39900182 3.92520921 10.94135021 0 1.00000000 -0.00017912 0.00000970 0.00351170 -0.00060670 Cl 3.39900682 3.92523287 7.43848361 0 1.00000000 -0.00014593 0.00001001 0.00234678 -0.00040508 Zr 1.67557178 2.92971431 16.23032031 1 1.00000000 -0.00002448 -0.00013944 0.00150758 0.02213913 Cl 1.72722058 4.88999044 14.42810013 1 1.00000000 -0.00784878 0.00442802 -0.00213369 0.00001160 Cl 1.69310607 4.90973595 17.93278414 1 1.00000000 -0.00267592 0.00137250 0.00166148 0.00007028 Zr 3.39906259 -0.00006778 12.70855413 2 1.00000000 0.00018483 -0.00058728 -0.00001299 1.14295916