element(s):
['Mo', 'U']
AFLOW prototype label:
AB2_tI6_139_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6017', '3.0888469', '0.3416131']
model name:
EAM_Dynamo_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo', 'U']
representative atom coordinates =  [[0.        0.        0.       ]
 [0.        0.        0.3416131]]
spacegroup =  139
cell =  [[3.6017, 0, 0], [0, 3.6017, 0], [0, 0, 11.1251]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:48:06      -26.876320        3.6429
BFGS:    1 13:48:06      -27.304152        3.4286
BFGS:    2 13:48:06      -27.714401        2.9364
BFGS:    3 13:48:06      -28.093273        2.3642
BFGS:    4 13:48:06      -28.428494        1.9133
BFGS:    5 13:48:06      -28.657274        1.3376
BFGS:    6 13:48:06      -28.779875        0.7610
BFGS:    7 13:48:06      -28.817928        0.5018
BFGS:    8 13:48:06      -28.832965        0.4834
BFGS:    9 13:48:06      -28.881206        0.2299
BFGS:   10 13:48:06      -28.901663        0.3888
BFGS:   11 13:48:06      -28.915113        0.7834
BFGS:   12 13:48:06      -28.931559        1.0089
BFGS:   13 13:48:06      -28.950029        0.9901
BFGS:   14 13:48:06      -28.962457        0.6713
BFGS:   15 13:48:06      -29.005416        0.8706
BFGS:   16 13:48:06      -29.076954        1.0414
BFGS:   17 13:48:06      -29.138077        1.0861
BFGS:   18 13:48:06      -29.184224        1.0194
BFGS:   19 13:48:06      -29.219642        0.8624
BFGS:   20 13:48:06      -29.246325        0.6643
BFGS:   21 13:48:06      -29.266215        0.4447
BFGS:   22 13:48:06      -29.279376        0.1881
BFGS:   23 13:48:06      -29.282739        0.0416
BFGS:   24 13:48:06      -29.282943        0.0126
BFGS:   25 13:48:06      -29.282985        0.0062
BFGS:   26 13:48:06      -29.282989        0.0015
BFGS:   27 13:48:06      -29.282990        0.0004
BFGS:   28 13:48:06      -29.282990        0.0000
BFGS:   29 13:48:06      -29.282990        0.0000
BFGS:   30 13:48:06      -29.282990        0.0000
Minimization converged after 30 steps.
Maximum force component: 4.058459818212513e-10 eV/Angstrom
Maximum stress component: 1.1282828771459131e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'U', 'U', 'U', 'U']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 3.29025149e-01]
 [2.31432503e-33 1.46701712e-32 6.70974851e-01]
 [5.00000000e-01 5.00000000e-01 8.29025149e-01]
 [5.00000000e-01 5.00000000e-01 1.70974851e-01]]
cellpar =  Cell([[3.3608201131975615, -5.487889193525769e-35, 1.1234183634358326e-31], [-5.769991467369977e-35, 3.3608201131975624, 1.9021055224634056e-16], [-1.6480432458777704e-32, 6.200138325898258e-16, 9.858582552125865]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-7.76724491e-33  2.55239760e-26  4.05845982e-10]
 [-1.03563265e-32 -2.55239708e-26 -4.05845982e-10]
 [-1.03563266e-32  2.55239657e-26  4.05845982e-10]
 [-1.03563265e-32 -2.55239696e-26 -4.05845982e-10]]
stress =  [ 1.12828288e-10  1.12828288e-10  1.26356794e-11 -1.58406543e-27
  8.13783306e-35  7.04729417e-50]
energy per atom =  -4.869777631704098
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0