element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_tP4_123_a_ce
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.559', '0.98817083']
model name:
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[3.559, 0, 0], [0, 3.559, 0], [0, 0, 3.5169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:45:16      -10.060524        11.428428
BFGS:    1 11:45:16      -11.550145         8.724558
BFGS:    2 11:45:16      -12.657308         6.478664
BFGS:    3 11:45:16      -13.448303         4.568231
BFGS:    4 11:45:16      -13.975574         2.960419
BFGS:    5 11:45:16      -14.280466         1.629247
BFGS:    6 11:45:16      -14.410248         0.673320
BFGS:    7 11:45:16      -14.437952         0.639546
BFGS:    8 11:45:16      -14.483039         1.339250
BFGS:    9 11:45:16      -14.568780         1.472793
BFGS:   10 11:45:16      -14.642387         1.304617
BFGS:   11 11:45:16      -14.720261         1.696715
BFGS:   12 11:45:16      -14.803691         2.148713
BFGS:   13 11:45:16      -14.889796         2.586155
BFGS:   14 11:45:16      -14.977022         3.017563
BFGS:   15 11:45:16      -15.063822         3.444141
BFGS:   16 11:45:16      -15.149211         3.853618
BFGS:   17 11:45:16      -15.233658         4.236397
BFGS:   18 11:45:16      -15.320645         4.592486
BFGS:   19 11:45:16      -15.403509         4.936503
BFGS:   20 11:45:16      -15.524416         5.191627
BFGS:   21 11:45:16      -15.715478         5.300364
BFGS:   22 11:45:16      -15.978893         5.250224
BFGS:   23 11:45:16      -16.256289         5.454914
BFGS:   24 11:45:16      -16.532726         5.396924
BFGS:   25 11:45:16      -16.799767         5.112994
BFGS:   26 11:45:16      -17.056106         4.602217
BFGS:   27 11:45:16      -17.297327         3.817645
BFGS:   28 11:45:16      -17.512897         2.702132
BFGS:   29 11:45:16      -17.667697         1.191630
BFGS:   30 11:45:16      -17.699576         0.391131
BFGS:   31 11:45:16      -17.704312         0.077269
BFGS:   32 11:45:16      -17.705007         0.038595
BFGS:   33 11:45:16      -17.705146         0.009126
BFGS:   34 11:45:16      -17.705149         0.001138
BFGS:   35 11:45:16      -17.705149         0.000024
BFGS:   36 11:45:16      -17.705149         0.000001
BFGS:   37 11:45:16      -17.705149         0.000000
Minimization converged after 37 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.231486901377472e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 4.90483260e-33]
 [8.49341201e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.418202779409408, 2.135302059732507e-35, 3.77897710466206e-32], [-1.5768718101667899e-34, 4.418202779409408, -2.683380694131143e-17], [-1.0434398306410909e-32, -3.890157786195696e-17, 3.141277349936222]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.20120567e-10 -3.20120567e-10 -4.23148690e-10  4.35701486e-26
 -8.88113624e-34  2.10310354e-49]
energy per atom =  -1.726293502023712
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0