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 18:10:47      -20.779942        0.2573
BFGS:    1 18:10:47      -20.782078        0.2383
BFGS:    2 18:10:47      -20.793631        0.0827
BFGS:    3 18:10:47      -20.793753        0.0700
BFGS:    4 18:10:47      -20.793915        0.0553
BFGS:    5 18:10:47      -20.794269        0.0293
BFGS:    6 18:10:47      -20.794529        0.0211
BFGS:    7 18:10:47      -20.794630        0.0075
BFGS:    8 18:10:47      -20.794643        0.0060
BFGS:    9 18:10:47      -20.794644        0.0042
BFGS:   10 18:10:47      -20.794645        0.0022
BFGS:   11 18:10:47      -20.794646        0.0009
BFGS:   12 18:10:47      -20.794646        0.0009
BFGS:   13 18:10:47      -20.794646        0.0007
BFGS:   14 18:10:47      -20.794646        0.0004
BFGS:   15 18:10:47      -20.794646        0.0003
BFGS:   16 18:10:47      -20.794646        0.0001
BFGS:   17 18:10:47      -20.794646        0.0000
BFGS:   18 18:10:47      -20.794646        0.0000
BFGS:   19 18:10:47      -20.794646        0.0000
BFGS:   20 18:10:47      -20.794646        0.0000
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