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 16:56:43      -10.060524        11.428428
BFGS:    1 16:56:43      -11.550145         8.724558
BFGS:    2 16:56:43      -12.657308         6.478664
BFGS:    3 16:56:43      -13.448303         4.568231
BFGS:    4 16:56:43      -13.975574         2.960419
BFGS:    5 16:56:43      -14.280466         1.629247
BFGS:    6 16:56:43      -14.410248         0.673320
BFGS:    7 16:56:43      -14.437952         0.639546
BFGS:    8 16:56:43      -14.483039         1.339250
BFGS:    9 16:56:43      -14.568780         1.472793
BFGS:   10 16:56:43      -14.642387         1.304617
BFGS:   11 16:56:43      -14.720261         1.696715
BFGS:   12 16:56:43      -14.803691         2.148713
BFGS:   13 16:56:44      -14.889796         2.586155
BFGS:   14 16:56:44      -14.977022         3.017563
BFGS:   15 16:56:44      -15.063822         3.444141
BFGS:   16 16:56:44      -15.149211         3.853618
BFGS:   17 16:56:44      -15.233658         4.236397
BFGS:   18 16:56:44      -15.320645         4.592486
BFGS:   19 16:56:44      -15.403509         4.936503
BFGS:   20 16:56:44      -15.524416         5.191627
BFGS:   21 16:56:44      -15.715478         5.300364
BFGS:   22 16:56:44      -15.978893         5.250224
BFGS:   23 16:56:44      -16.256289         5.454914
BFGS:   24 16:56:44      -16.532726         5.396924
BFGS:   25 16:56:44      -16.799767         5.112994
BFGS:   26 16:56:44      -17.056106         4.602217
BFGS:   27 16:56:44      -17.297327         3.817645
BFGS:   28 16:56:44      -17.512897         2.702132
BFGS:   29 16:56:44      -17.667697         1.191630
BFGS:   30 16:56:44      -17.699576         0.391131
BFGS:   31 16:56:44      -17.704312         0.077269
BFGS:   32 16:56:44      -17.705007         0.038595
BFGS:   33 16:56:44      -17.705146         0.009126
BFGS:   34 16:56:44      -17.705149         0.001138
BFGS:   35 16:56:44      -17.705149         0.000024
BFGS:   36 16:56:44      -17.705149         0.000001
BFGS:   37 16:56:44      -17.705149         0.000000
Minimization converged after 37 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.231457208211487e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]]
cellpar =  Cell([[4.418202779409409, -6.793450835334443e-35, -8.36732346590313e-33], [-5.752044907645933e-35, 4.418202779409411, 1.7798950642718902e-17], [-7.373829701312563e-33, 1.1892562529709292e-17, 3.141277349936224]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.20118459e-10 -3.20118459e-10 -4.23145721e-10 -3.00096101e-25
 -2.49336536e-43 -1.08557323e-58]
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