element(s):
['Bi']
AFLOW prototype label:
A_mP4_11_2e
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.4429', '0.72754505', '0.71377796', '85.3702', '0.22731652', '0.81610078', '0.72506512', '0.6600422']
model name:
MEAM_LAMMPS_ZhouDickelBaskes_2021_Bi__MO_221877348962_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Bi', 'Bi']
representative atom coordinates =  [[0.18389922 0.25       0.22731652]
 [0.3399578  0.25       0.72506512]]
spacegroup =  11
cell =  [[4.5988, 0, 0], [0, 4.6875, 0], [-0.52005379011363, 0, 6.4218770204192]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:40:01       -9.384659         0.316718
BFGS:    1 09:40:01       -9.388091         0.287749
BFGS:    2 09:40:01       -9.410708         0.196007
BFGS:    3 09:40:01       -9.414044         0.254052
BFGS:    4 09:40:02       -9.418536         0.298551
BFGS:    5 09:40:02       -9.435843         0.328643
BFGS:    6 09:40:02       -9.441252         0.394517
BFGS:    7 09:40:02       -9.455812         0.338603
BFGS:    8 09:40:02       -9.481167         0.216131
BFGS:    9 09:40:02       -9.493389         0.136842
BFGS:   10 09:40:02       -9.496590         0.236870
BFGS:   11 09:40:02       -9.500695         0.598417
BFGS:   12 09:40:02       -9.509266         0.324605
BFGS:   13 09:40:02       -9.528722         0.246890
BFGS:   14 09:40:02       -9.566255         0.124829
BFGS:   15 09:40:02       -9.587885         0.137516
BFGS:   16 09:40:02       -9.591986         0.133939
BFGS:   17 09:40:02       -9.592769         0.133707
BFGS:   18 09:40:02       -9.594021         0.127651
BFGS:   19 09:40:02       -9.596830         0.105696
BFGS:   20 09:40:02       -9.599889         0.074440
BFGS:   21 09:40:02       -9.602540         0.064472
BFGS:   22 09:40:02       -9.604165         0.038839
BFGS:   23 09:40:02       -9.605428         0.038834
BFGS:   24 09:40:02       -9.606233         0.031052
BFGS:   25 09:40:02       -9.606528         0.021635
BFGS:   26 09:40:02       -9.606600         0.021057
BFGS:   27 09:40:02       -9.606651         0.022523
BFGS:   28 09:40:02       -9.606749         0.023618
BFGS:   29 09:40:02       -9.606928         0.023147
BFGS:   30 09:40:02       -9.607223         0.034090
BFGS:   31 09:40:02       -9.607579         0.037051
BFGS:   32 09:40:02       -9.607858         0.027039
BFGS:   33 09:40:02       -9.607971         0.017332
BFGS:   34 09:40:02       -9.608000         0.015209
BFGS:   35 09:40:02       -9.608015         0.017064
BFGS:   36 09:40:02       -9.608035         0.017611
BFGS:   37 09:40:02       -9.608071         0.016515
BFGS:   38 09:40:02       -9.608138         0.012411
BFGS:   39 09:40:02       -9.608234         0.010742
BFGS:   40 09:40:02       -9.608305         0.008837
BFGS:   41 09:40:02       -9.608331         0.007586
BFGS:   42 09:40:02       -9.608340         0.006775
BFGS:   43 09:40:02       -9.608346         0.006461
BFGS:   44 09:40:02       -9.608351         0.005385
BFGS:   45 09:40:02       -9.608356         0.004058
BFGS:   46 09:40:02       -9.608363         0.004005
BFGS:   47 09:40:02       -9.608372         0.003961
BFGS:   48 09:40:02       -9.608381         0.002945
BFGS:   49 09:40:02       -9.608387         0.002533
BFGS:   50 09:40:02       -9.608389         0.002259
BFGS:   51 09:40:02       -9.608390         0.002127
BFGS:   52 09:40:02       -9.608390         0.001987
BFGS:   53 09:40:02       -9.608391         0.001738
BFGS:   54 09:40:02       -9.608393         0.001555
BFGS:   55 09:40:02       -9.608396         0.001216
BFGS:   56 09:40:02       -9.608398         0.000732
BFGS:   57 09:40:02       -9.608398         0.000548
BFGS:   58 09:40:02       -9.608399         0.000123
BFGS:   59 09:40:03       -9.608399         0.000066
BFGS:   60 09:40:03       -9.608399         0.000017
BFGS:   61 09:40:03       -9.608399         0.000003
BFGS:   62 09:40:03       -9.608399         0.000001
BFGS:   63 09:40:03       -9.608399         0.000000
BFGS:   64 09:40:03       -9.608399         0.000000
BFGS:   65 09:40:03       -9.608399         0.000000
BFGS:   66 09:40:03       -9.608399         0.000000
Minimization converged after 66 steps.
Maximum force component: 1.0406028985547602e-09 eV/Angstrom
Maximum stress component: 9.99302922327876e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Bi', 'Bi', 'Bi', 'Bi']
basis =  [[0.25 0.25 0.25]
 [0.75 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.25]]
cellpar =  Cell([[4.617048636242001, 1.807757092198137e-18, 0.1835817313801754], [2.01219505812537e-18, 4.620696958299529, 2.034073383645122e-17], [-0.2596237738362398, 2.6977769277978432e-17, 6.529492801616441]])
forces =  [[ 3.38448851e-10 -4.23204628e-27 -1.04060290e-09]
 [-3.38448851e-10  4.23203204e-27  1.04060290e-09]
 [-3.02653099e-10  2.66100671e-28  8.08491399e-11]
 [ 3.02653099e-10 -2.66107791e-28 -8.08491399e-11]]
stress =  [ 4.79698755e-11  9.99302922e-11  9.94344875e-11 -4.60651245e-31
  3.03983078e-12  2.25930691e-29]
energy per atom =  -2.4020996385056117
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_mP4_11_2e, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.