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 16:52:03      -26.876320         3.642927
BFGS:    1 16:52:03      -27.304152         3.428634
BFGS:    2 16:52:03      -27.714401         2.936353
BFGS:    3 16:52:03      -28.093273         2.364168
BFGS:    4 16:52:03      -28.428494         1.913332
BFGS:    5 16:52:03      -28.657274         1.337613
BFGS:    6 16:52:03      -28.779875         0.760963
BFGS:    7 16:52:04      -28.817928         0.501768
BFGS:    8 16:52:04      -28.832965         0.483350
BFGS:    9 16:52:04      -28.881206         0.229900
BFGS:   10 16:52:04      -28.901663         0.388809
BFGS:   11 16:52:04      -28.915113         0.783356
BFGS:   12 16:52:04      -28.931559         1.008928
BFGS:   13 16:52:04      -28.950029         0.990080
BFGS:   14 16:52:04      -28.962457         0.671316
BFGS:   15 16:52:04      -29.005416         0.870602
BFGS:   16 16:52:04      -29.076954         1.041413
BFGS:   17 16:52:05      -29.138077         1.086063
BFGS:   18 16:52:05      -29.184224         1.019394
BFGS:   19 16:52:05      -29.219642         0.862413
BFGS:   20 16:52:05      -29.246325         0.664337
BFGS:   21 16:52:05      -29.266215         0.444719
BFGS:   22 16:52:05      -29.279376         0.188109
BFGS:   23 16:52:05      -29.282739         0.041569
BFGS:   24 16:52:05      -29.282943         0.012637
BFGS:   25 16:52:05      -29.282985         0.006177
BFGS:   26 16:52:05      -29.282989         0.001450
BFGS:   27 16:52:06      -29.282990         0.000440
BFGS:   28 16:52:06      -29.282990         0.000016
BFGS:   29 16:52:06      -29.282990         0.000001
BFGS:   30 16:52:06      -29.282990         0.000000
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