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_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005
==== 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 17:09:23      -17.905150        1.0413
BFGS:    1 17:09:23      -17.946959        0.8270
BFGS:    2 17:09:23      -18.004503        0.1090
BFGS:    3 17:09:23      -18.005326        0.0142
BFGS:    4 17:09:23      -18.005341        0.0002
BFGS:    5 17:09:23      -18.005341        0.0000
BFGS:    6 17:09:23      -18.005341        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.9091914069356923e-13 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 1.74325663e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.452464177094131, -5.103564235786533e-33, 6.498787178983458e-34], [-3.6455575558785244e-33, 3.452464177094131, 6.374978103011429e-20], [-3.228218718476762e-33, 6.374978103011824e-20, 3.452464177094131]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.90919141e-13  3.90919141e-13  3.90919141e-13  1.10058456e-29
 -3.44699650e-34  8.62342022e-51]
energy per atom =  -4.501335164059686
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0