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 13:14:18      -26.876320         3.642927
BFGS:    1 13:14:18      -27.304152         3.428634
BFGS:    2 13:14:18      -27.714401         2.936353
BFGS:    3 13:14:18      -28.093273         2.364168
BFGS:    4 13:14:18      -28.428494         1.913332
BFGS:    5 13:14:18      -28.657274         1.337613
BFGS:    6 13:14:18      -28.779875         0.760963
BFGS:    7 13:14:18      -28.817928         0.501768
BFGS:    8 13:14:18      -28.832965         0.483350
BFGS:    9 13:14:18      -28.881206         0.229900
BFGS:   10 13:14:18      -28.901663         0.388809
BFGS:   11 13:14:18      -28.915113         0.783356
BFGS:   12 13:14:18      -28.931559         1.008928
BFGS:   13 13:14:18      -28.950029         0.990080
BFGS:   14 13:14:18      -28.962457         0.671316
BFGS:   15 13:14:18      -29.005416         0.870602
BFGS:   16 13:14:18      -29.076954         1.041413
BFGS:   17 13:14:18      -29.138077         1.086063
BFGS:   18 13:14:18      -29.184224         1.019394
BFGS:   19 13:14:18      -29.219642         0.862413
BFGS:   20 13:14:18      -29.246325         0.664337
BFGS:   21 13:14:18      -29.266215         0.444719
BFGS:   22 13:14:18      -29.279376         0.188109
BFGS:   23 13:14:18      -29.282739         0.041569
BFGS:   24 13:14:18      -29.282943         0.012637
BFGS:   25 13:14:18      -29.282985         0.006177
BFGS:   26 13:14:18      -29.282989         0.001450
BFGS:   27 13:14:18      -29.282990         0.000440
BFGS:   28 13:14:18      -29.282990         0.000016
BFGS:   29 13:14:18      -29.282990         0.000001
BFGS:   30 13:14:19      -29.282990         0.000000
Minimization converged after 30 steps.
Maximum force component: 4.0583158968793266e-10 eV/Angstrom
Maximum stress component: 1.1282725230611021e-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]
 [6.85090610e-34 0.00000000e+00 6.70974851e-01]
 [5.00000000e-01 5.00000000e-01 8.29025149e-01]
 [5.00000000e-01 5.00000000e-01 1.70974851e-01]]
cellpar =  Cell([[3.3608201131975606, -7.230732639308891e-36, 4.549906674599007e-32], [1.1859793502775113e-36, 3.3608201131975615, 1.3678280152129855e-16], [2.666798067755772e-32, 4.556366058216453e-16, 9.858582552125863]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.03563266e-32  1.87564420e-26  4.05831590e-10]
 [ 1.03563265e-32 -1.87564304e-26 -4.05831590e-10]
 [ 1.03563266e-32  1.87564420e-26  4.05831590e-10]
 [ 5.17816327e-33 -1.87564317e-26 -4.05831590e-10]]
stress =  [1.12827252e-10 1.12827252e-10 1.26348918e-11 9.78784269e-27
 4.65019032e-35 2.03070819e-50]
energy per atom =  -4.869777631704094
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0