26 Lattice="6.899053568624828 -0.011349171550876272 0.0 -3.458694799594307 5.825685456332494 0.0 -1.9869831022162957e-15 6.379754629842323e-18 27.319686473786916" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-140.49415170473452 stress="3.8700534996996395e-06 1.2567401868983653e-06 4.631456016793528e-05 1.2567401868983653e-06 -1.9524509416324403e-06 1.6023307541329756e-05 4.631456016793528e-05 1.6023307541329756e-05 0.00010462393488457538" dipole="0.533348080804121 -15.509752386703868 -0.010667176868724891" magmom=0.0 free_energy=-140.526940845481 pbc="T T F" Zr -0.05640174 -0.02883951 8.73250313 0 0.00000000 0.00126345 0.00016616 -0.00475426 0.00000000 Cl 1.66852543 0.92817615 10.43986057 0 0.00000000 0.00029163 0.00011281 0.00065722 0.00000000 Cl 1.66783416 0.92807950 7.02117358 0 0.00000000 0.00004305 0.00011016 0.00345507 0.00000000 Zr 0.01494231 0.27602678 18.49736883 1 0.00000000 0.00220461 0.00407374 0.00422109 0.00000000 Cl 0.14709289 1.60316612 14.32407211 1 0.00000000 -0.00282990 -0.00216807 0.00088725 0.00000000 Cl 0.02895503 2.20715362 20.23780345 1 0.00000000 -0.00207629 -0.00216887 -0.00299096 0.00000000 Zr -1.78575022 2.88400291 8.73250351 0 0.00000000 0.00127562 0.00017443 -0.00475580 0.00000000 Cl -0.06082154 3.84101988 10.43986065 0 0.00000000 0.00028519 0.00010711 0.00066967 0.00000000 Cl -0.06151401 3.84092294 7.02117292 0 0.00000000 0.00004726 0.00010074 0.00346081 0.00000000 Zr -1.71435416 3.18894713 18.49703751 1 0.00000000 0.00221060 0.00390909 0.00451436 0.00000000 Cl -1.58326764 4.51538024 14.32427255 1 0.00000000 -0.00287734 -0.00211243 0.00114727 0.00000000 Cl -1.70026403 5.11986698 20.23778167 1 0.00000000 -0.00227359 -0.00201572 -0.00294377 0.00000000 Zr 3.39303498 -0.03463499 8.73194291 0 0.00000000 0.00153472 0.00045641 -0.00502564 0.00000000 Cl 5.11741745 0.92245960 10.44105892 0 0.00000000 -0.00122895 -0.00080535 0.00131911 0.00000000 Cl 5.11771877 0.92265844 7.02153753 0 0.00000000 -0.00058977 -0.00039823 0.00310013 0.00000000 Zr 3.49762970 0.11831893 18.49865591 1 0.00000000 -0.00181472 -0.00165089 0.00443459 0.00000000 Cl 3.57426257 2.09990655 16.72488528 1 0.00000000 0.00359117 0.00118435 -0.00757010 0.00000000 Cl 3.48463532 2.09959248 20.21716984 1 0.00000000 -0.00350689 -0.00299699 -0.00247822 0.00000000 Zr 1.66368866 2.87820883 8.73194296 0 0.00000000 0.00152548 0.00043704 -0.00502370 0.00000000 Cl 3.38806986 3.83530218 10.44105930 0 0.00000000 -0.00122811 -0.00080058 0.00131414 0.00000000 Cl 3.38837286 3.83550013 7.02153760 0 0.00000000 -0.00059798 -0.00038860 0.00309628 0.00000000 Zr 1.76819010 3.03117885 18.49871072 1 0.00000000 -0.00162631 -0.00184001 0.00445089 0.00000000 Cl 1.84528279 5.01289426 16.72507789 1 0.00000000 0.00318881 0.00104113 -0.00787768 0.00000000 Cl 1.75517851 5.01231775 20.21733821 1 0.00000000 -0.00334345 -0.00287270 -0.00257685 0.00000000 Zr 1.67499994 0.53592578 16.08558061 2 0.00000000 0.00338792 0.00454183 0.00437662 0.00000000 Zr -0.05402422 3.44935043 16.08526678 2 0.00000000 0.00306315 0.00376683 0.00476842 0.00000000