34 Lattice="7.110288108279086 0.017421659195656553 0.0 -3.5407790608822896 5.952684560173076 0.0 8.057140107066305e-15 1.0599061976415944e-16 33.22822065866687" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-188.64739928513936 stress="-0.00012551274048966005 -0.00023134700313326634 -0.00023292826892572455 -0.00023134700313326634 0.0001957506027154895 -0.00013032636939535537 -0.00023292826892572455 -0.00013032636939535537 -0.0011656909607922132" dipole="6.529844306455445 10.124522013299307 0.07344193121281466" magmom=0.0 free_energy=-188.69392866533707 pbc="T T F" Zr 0.09023672 -0.08768810 11.79309545 0 0.00000000 -0.00053702 0.00059669 -0.00415302 0.00000000 Zr 0.14722468 1.89071750 9.33133618 0 0.00000000 0.00823475 -0.00756386 -0.00857898 0.00000000 Br 1.88275694 0.89304444 7.41986383 0 0.00000000 -0.00847794 0.00312709 -0.01061487 0.00000000 Br 2.06597640 0.76316504 13.70457117 0 0.00000000 0.00236236 0.00435984 0.01217941 0.00000000 Zr 1.63306095 1.07603551 23.94335717 1 0.00000000 0.00218662 0.00024452 0.02112551 0.00000000 Zr -0.13856061 0.11588083 21.59850856 1 0.00000000 0.00138222 -0.00019464 -0.00450972 0.00000000 Br -0.12746877 2.12955552 19.70618794 1 0.00000000 -0.00288042 -0.00277398 0.01178808 0.00000000 Br -0.14816651 2.03926591 25.84759509 1 0.00000000 0.00499637 0.00343161 0.00474442 0.00000000 Zr -1.78683486 2.60450318 11.64346079 0 0.00000000 0.00452837 -0.00125001 -0.01985763 0.00000000 Zr -1.68767791 4.82552279 9.33547062 0 0.00000000 -0.00681427 0.00771111 -0.00896841 0.00000000 Br 0.13005628 3.90025621 7.44496467 0 0.00000000 -0.00129318 -0.00749818 -0.01106544 0.00000000 Br 0.54513762 3.93996697 16.16672888 0 0.00000000 0.00199333 -0.00302421 -0.00503895 0.00000000 Zr -0.13776806 4.05200187 23.94242810 1 0.00000000 0.00059992 0.00199153 0.01867592 0.00000000 Zr -1.91137602 3.09269282 21.59558440 1 0.00000000 0.00024550 -0.00056123 -0.00480790 0.00000000 Br -1.90076706 5.10485236 19.69191399 1 0.00000000 -0.00389696 -0.00145684 0.00740720 0.00000000 Br -1.91799546 5.01565952 25.84753373 1 0.00000000 0.00544972 0.00266938 0.00646960 0.00000000 Zr 3.53836119 -0.36566399 11.64821126 0 0.00000000 0.00504916 -0.00157118 -0.01926028 0.00000000 Zr 3.63817143 1.85681678 9.33516706 0 0.00000000 -0.00727335 0.00801840 -0.00858761 0.00000000 Br 5.45581398 0.93201155 7.44410484 0 0.00000000 -0.00195108 -0.00724931 -0.00962456 0.00000000 Br 5.79644103 1.01780321 16.15716397 0 0.00000000 -0.00642169 0.00055755 -0.00547931 0.00000000 Zr 5.18780442 1.08432690 23.94234346 1 0.00000000 0.00031609 0.00218757 0.01908961 0.00000000 Zr 3.41406973 0.12506624 21.59564332 1 0.00000000 0.00053309 -0.00008066 -0.00489144 0.00000000 Br 3.42459876 2.13735242 19.69229142 1 0.00000000 -0.00395703 -0.00156179 0.00687991 0.00000000 Br 3.40751315 2.04803141 25.84732317 1 0.00000000 0.00561294 0.00257420 0.00719132 0.00000000 Zr 1.87460382 2.89530742 11.79215731 0 0.00000000 -0.00103964 0.00112174 -0.00396897 0.00000000 Zr 1.93163269 4.87613388 9.33270010 0 0.00000000 0.00855837 -0.00789891 -0.00862101 0.00000000 Br 3.66691516 3.87816538 7.42096305 0 0.00000000 -0.00764435 0.00279460 -0.01103019 0.00000000 Br 3.85187767 3.74746294 13.69994134 0 0.00000000 0.00241735 0.00497835 0.01201377 0.00000000 Zr 3.41789245 4.06110791 23.94333098 1 0.00000000 0.00197178 0.00017825 0.02107001 0.00000000 Zr 1.64614073 3.10093673 21.59855269 1 0.00000000 0.00101069 -0.00006949 -0.00476915 0.00000000 Br 1.65732315 5.11490074 19.70644238 1 0.00000000 -0.00269870 -0.00257377 0.01175713 0.00000000 Br 1.63667309 5.02434632 25.84758438 1 0.00000000 0.00472188 0.00324603 0.00473938 0.00000000 Zr -0.15228742 2.33256227 14.09875555 2 0.00000000 -0.00379179 -0.00165524 -0.00666337 0.00000000 Zr 1.63681324 5.31506408 14.10170870 2 0.00000000 -0.00366712 -0.00272986 -0.00514038 0.00000000