element(s):
['Al', 'Ni']
AFLOW prototype label:
A3B2_hP5_164_ad_d
Parameter names:
['a', 'c/a', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0211', '1.2156872', '0.64900192', '0.14827124']
model name:
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Ni']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.35099808]
 [0.33333333 0.66666667 0.85172876]]
spacegroup =  164
cell =  [[4.0211, 0, 0], [-2.01055, 3.4823747511576, 0], [0, 0, 4.8884]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:26:52      -20.779942         0.257265
BFGS:    1 16:26:52      -20.782078         0.238256
BFGS:    2 16:26:53      -20.793631         0.082654
BFGS:    3 16:26:53      -20.793753         0.070007
BFGS:    4 16:26:53      -20.793915         0.055280
BFGS:    5 16:26:53      -20.794269         0.029259
BFGS:    6 16:26:53      -20.794529         0.021137
BFGS:    7 16:26:53      -20.794630         0.007535
BFGS:    8 16:26:53      -20.794643         0.005956
BFGS:    9 16:26:53      -20.794644         0.004229
BFGS:   10 16:26:53      -20.794645         0.002233
BFGS:   11 16:26:53      -20.794646         0.000870
BFGS:   12 16:26:53      -20.794646         0.000867
BFGS:   13 16:26:53      -20.794646         0.000692
BFGS:   14 16:26:53      -20.794646         0.000382
BFGS:   15 16:26:54      -20.794646         0.000267
BFGS:   16 16:26:54      -20.794646         0.000078
BFGS:   17 16:26:54      -20.794646         0.000012
BFGS:   18 16:26:54      -20.794646         0.000001
BFGS:   19 16:26:54      -20.794646         0.000000
BFGS:   20 16:26:54      -20.794646         0.000000
Minimization converged after 20 steps.
Maximum force component: 8.901577628802676e-10 eV/Angstrom
Maximum stress component: 8.607119178036396e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ni', 'Ni']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.34998346]
 [0.66666667 0.33333333 0.65001654]
 [0.33333333 0.66666667 0.84882596]
 [0.66666667 0.33333333 0.15117404]]
cellpar =  Cell([[3.9787848670428003, 1.261222009851875e-17, -1.9373641468268615e-39], [-1.9893924335214002, 3.445728771052158, -4.582865919364407e-39], [-2.393200209210306e-37, -4.979257214086879e-37, 4.89817609564933]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.30779493e-31 -9.09038373e-47  8.90157763e-10]
 [ 3.26948732e-32 -5.66291816e-32 -8.90157763e-10]
 [ 2.61558986e-31 -1.13258363e-31 -3.70105682e-11]
 [-2.08429817e-31  9.20224201e-32  3.70105682e-11]]
stress =  [-5.08475979e-11 -5.08475979e-11 -8.60711918e-11 -1.82095069e-48
 -1.31846175e-48 -1.58254663e-26]
energy per atom =  -4.158929186897142
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0