element(s):
['Ni']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5048']
model name:
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:09:58       -6.064274       36.1791
BFGS:    1 17:09:58       -6.843358       32.5126
BFGS:    2 17:09:58       -7.497412       28.9003
BFGS:    3 17:09:58       -8.043462       25.4237
BFGS:    4 17:09:58       -8.494783       22.0360
BFGS:    5 17:09:58       -8.866087       18.7972
BFGS:    6 17:09:58       -9.175971       15.6882
BFGS:    7 17:09:58       -9.441696       12.9241
BFGS:    8 17:09:58       -9.683792       11.1145
BFGS:    9 17:09:58       -9.921194        9.9688
BFGS:   10 17:09:58      -10.137483        9.1363
BFGS:   11 17:09:58      -10.313113        8.6594
BFGS:   12 17:09:58      -10.447476        8.3294
BFGS:   13 17:09:58      -10.539523        8.1235
BFGS:   14 17:09:58      -10.588535        7.7536
BFGS:   15 17:09:58      -10.595901        7.1010
BFGS:   16 17:09:58      -10.570448        6.2188
BFGS:   17 17:09:58      -10.521666        5.0580
BFGS:   18 17:09:58      -10.457815        3.6610
BFGS:   19 17:09:58      -10.390996        2.0911
BFGS:   20 17:09:58      -10.333131        0.4434
BFGS:   21 17:09:58      -10.320355        0.1363
BFGS:   22 17:09:58      -10.315108        0.0346
BFGS:   23 17:09:58      -10.313387        0.0006
BFGS:   24 17:09:58      -10.313417        0.0000
BFGS:   25 17:09:58      -10.313417        0.0000
Minimization converged after 25 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1360564011525865e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.00374934e-34]]
cellpar =  Cell([[4.39976898406715, 2.7922792708516945e-32, -5.042782475395696e-32], [-3.083571291007214e-32, 4.39976898406715, 4.495288955002016e-17], [4.0574326276690793e-32, 4.495288955002014e-17, 4.399768984067149]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.13605640e-12 -2.13605640e-12 -2.13605640e-12 -1.64108497e-27
  6.63268663e-36 -5.87300406e-52]
energy per atom =  1.069335845452366
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0