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 15:23:13       -6.064274        36.179060
BFGS:    1 15:23:13       -6.843358        32.512555
BFGS:    2 15:23:13       -7.497412        28.900322
BFGS:    3 15:23:13       -8.043462        25.423651
BFGS:    4 15:23:13       -8.494783        22.036018
BFGS:    5 15:23:13       -8.866087        18.797200
BFGS:    6 15:23:13       -9.175971        15.688228
BFGS:    7 15:23:13       -9.441696        12.924072
BFGS:    8 15:23:13       -9.683792        11.114510
BFGS:    9 15:23:13       -9.921194         9.968784
BFGS:   10 15:23:13      -10.137483         9.136260
BFGS:   11 15:23:13      -10.313113         8.659414
BFGS:   12 15:23:13      -10.447476         8.329389
BFGS:   13 15:23:13      -10.539523         8.123481
BFGS:   14 15:23:13      -10.588535         7.753596
BFGS:   15 15:23:13      -10.595901         7.101029
BFGS:   16 15:23:13      -10.570448         6.218780
BFGS:   17 15:23:13      -10.521666         5.057997
BFGS:   18 15:23:13      -10.457815         3.661026
BFGS:   19 15:23:13      -10.390996         2.091122
BFGS:   20 15:23:13      -10.333131         0.443406
BFGS:   21 15:23:13      -10.320355         0.136312
BFGS:   22 15:23:13      -10.315108         0.034565
BFGS:   23 15:23:13      -10.313387         0.000622
BFGS:   24 15:23:13      -10.313417         0.000003
BFGS:   25 15:23:13      -10.313417         0.000000
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