25 Lattice="-5.176696427757829 -2.9883562633437766 0.0 -0.0003617367412057313 5.977336045548991 0.0 5.348528504030088e-16 4.960281885469113e-20 31.393935102767266" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-135.50611912372392 stress="-1.8692547058566924e-05 -2.7489059483082702e-05 1.3746488269152014e-05 -2.7489059483082702e-05 -3.9336875921334736e-05 1.560886426452528e-05 1.3746488269152014e-05 1.560886426452528e-05 -0.0006518873381867544" dipole="-0.2200407389667659 -0.5011589361611412 -1.492757918727537e-06" magmom=0.0 free_energy=-135.6038137030016 pbc="T T F" Zr -1.72717262 2.98747852 11.84416918 0 0.00000000 -0.00035209 0.00044005 -0.00400935 0.00000000 Zr -3.45161235 1.99201873 9.37583092 0 0.00000000 -0.00311100 -0.00044327 -0.00769559 0.00000000 Br -1.72685718 2.98780611 7.43977506 0 0.00000000 -0.00019295 -0.00006099 -0.00607187 0.00000000 Br -3.46505679 1.98489649 13.89338150 0 0.00000000 -0.00698396 -0.00463968 0.00129919 0.00000000 Zr -1.72485931 0.99766383 22.01856338 1 0.00000000 0.00021721 -0.00113979 0.00670329 0.00000000 Zr -1.72498071 2.98968261 19.55007503 1 0.00000000 0.00011014 -0.00042537 0.00377777 0.00000000 Br -1.72406460 0.98278006 17.50100783 1 0.00000000 -0.00178117 -0.00881005 0.00222690 0.00000000 Br -1.72533401 2.98938780 23.95422538 1 0.00000000 0.00022480 -0.00001466 0.00663418 0.00000000 Zr -3.45378578 -0.00059277 11.81424878 0 0.00000000 0.00327918 0.00025962 0.00445022 0.00000000 Zr -0.00232116 1.99166901 9.37562213 0 0.00000000 0.00104295 0.00018496 -0.00659394 0.00000000 Br -3.45253513 -0.00059152 7.44102258 0 0.00000000 0.00071523 -0.00080695 -0.00975899 0.00000000 Br 0.01039372 1.98391182 13.89299649 0 0.00000000 0.00646612 -0.00210331 -0.00068376 0.00000000 Zr -3.44974676 -1.99182988 22.01860044 1 0.00000000 -0.00021134 -0.00020344 0.00656916 0.00000000 Zr -3.44919456 0.00143270 19.57995411 1 0.00000000 -0.00340206 -0.00065337 -0.00467607 0.00000000 Br -3.46227374 -1.98404383 17.50101569 1 0.00000000 -0.00639024 0.00205438 0.00094236 0.00000000 Br -3.45089419 0.00095148 23.95316162 1 0.00000000 0.00061326 -0.00011715 0.00962166 0.00000000 Zr -0.00278072 -0.00184666 11.81426752 0 0.00000000 0.00381335 0.00131202 0.00440020 0.00000000 Zr -1.72685667 -0.99774419 9.37552350 0 0.00000000 -0.00066574 0.00084607 -0.00631142 0.00000000 Br -0.00083987 -0.00106947 7.44094452 0 0.00000000 -0.00108497 -0.00002060 -0.00946734 0.00000000 Br -1.72781213 -0.98289794 13.89328144 0 0.00000000 0.00185318 0.00877769 -0.00240872 0.00000000 Zr -0.00049779 3.98505273 22.01826696 1 0.00000000 0.00272930 0.00079216 0.00790548 0.00000000 Zr 0.00195144 0.00070556 19.57991733 1 0.00000000 -0.00328962 -0.00085516 -0.00453521 0.00000000 Br 0.01282293 3.99226526 17.50122226 1 0.00000000 0.00700060 0.00473344 -0.00215602 0.00000000 Br 0.00060281 0.00035239 23.95321467 1 0.00000000 -0.00039009 0.00100433 0.00946050 0.00000000 Zr -1.72598732 2.98862658 15.69713373 2 0.00000000 -0.00021100 -0.00011094 0.00007856 0.00000000