40
Lattice="7.803512 0.0 0.0 0.0 7.803512 0.0 0.0 0.0 7.645599" Properties=species:S:1:pos:R:3:forces:R:3 energy=-264.7243551436373 stress="-0.01951165830145927 4.22570271428666e-08 1.7968770656759269e-12 4.22570271428666e-08 -0.019511781867408665 1.0317189843140959e-12 1.7968770656759269e-12 1.0317189843140959e-12 -0.019499021557762845" dipole="5.0407854010971716e-05 4.966669857914889e-05 7.515027820236469e-06" pbc="T T T"
F        5.49542000       1.42234000       0.00000000      -0.07155634       0.00927843       0.00000400
F        2.63639000       2.25288000       0.00000000      -0.29448303       0.06406785       0.00000127
F        0.25766000       2.59847000       0.00000000       0.30429134      -0.04252051       0.00000637
F        7.54586000       5.20505000       0.00000000      -0.30440410       0.04252424       0.00000637
F        5.16712000       5.55063000       0.00000000       0.29449277      -0.06405144       0.00000127
F        2.30810000       6.38118000       0.00000000       0.07156682      -0.00934465       0.00000400
F        5.53366000       3.43957000       1.40603000       0.08532522       0.02748677       0.14625905
F        2.26985000       4.36394000       1.40603000      -0.08528510      -0.02741257       0.14623110
F        3.90176000       0.00000000       1.48824000      -0.00002689      -0.00001382       0.14576587
F        1.54998000       0.45667000       1.53549000       0.07316263       0.24290891       0.07507482
F        6.25353000       7.34684000       1.53549000      -0.07312949      -0.24285930       0.07504733
F        7.34684000       1.54998000       2.28731000      -0.24283453       0.07316532      -0.07506012
F        0.45667000       6.25353000       2.28731000       0.24293234      -0.07312840      -0.07507297
F        0.00000000       3.90176000       2.33456000      -0.00001416      -0.00003680      -0.14576917
F        3.43957000       2.26985000       2.41677000       0.02746573      -0.08531029      -0.14626454
F        4.36394000       5.53366000       2.41677000      -0.02743115       0.08529928      -0.14623085
F        5.20505000       0.25766000       3.82280000       0.04251161       0.30429087      -0.00001497
F        1.42234000       2.30810000       3.82280000       0.00927906       0.07157035      -0.00000795
F        5.55063000       2.63639000       3.82280000      -0.06405561      -0.29446066      -0.00000313
F        2.25288000       5.16712000       3.82280000       0.06408254       0.29451116      -0.00000313
F        6.38118000       5.49542000       3.82280000      -0.00936162      -0.07156978      -0.00000795
F        2.59847000       7.54586000       3.82280000      -0.04251759      -0.30442068      -0.00001497
F        3.43957000       2.26985000       5.22883000       0.02746846      -0.08530833       0.14626173
F        4.36394000       5.53366000       5.22883000      -0.02743388       0.08529732       0.14622805
F        0.00000000       3.90176000       5.31104000      -0.00001416      -0.00003680       0.14576581
F        7.34684000       1.54998000       5.35829000      -0.24283782       0.07317631       0.07506018
F        0.45667000       6.25353000       5.35829000       0.24293562      -0.07313938       0.07507304
F        1.54998000       0.45667000       6.11010000       0.07317002       0.24290640      -0.07504159
F        6.25353000       7.34684000       6.11010000      -0.07313688      -0.24285679      -0.07501410
F        3.90176000       0.00000000       6.15736000      -0.00002689      -0.00001382      -0.14575970
F        5.53366000       3.43957000       6.23957000       0.08532518       0.02748716      -0.14626038
F        2.26985000       4.36394000       6.23957000      -0.08528507      -0.02741295      -0.14623243
Zr       1.43435000       2.47911000       1.76075000      -0.01515561      -0.08424184      -0.04976885
Zr       6.36916000       5.32441000       1.76075000       0.01528050       0.08404013      -0.04980004
Zr       5.32441000       1.43435000       2.06205000       0.08403511      -0.01513617       0.04980667
Zr       2.47911000       6.36916000       2.06205000      -0.08424733       0.01530123       0.04982320
Zr       5.32441000       1.43435000       5.58355000       0.08403017      -0.01512655      -0.04981460
Zr       2.47911000       6.36916000       5.58355000      -0.08424239       0.01529161      -0.04983113
Zr       1.43435000       2.47911000       5.88485000      -0.01515655      -0.08422770       0.04976067
Zr       6.36916000       5.32441000       5.88485000       0.01528144       0.08402599       0.04979186