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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 17:00:52      -72.220486       13.5118
BFGS:    1 17:00:52      -74.014045       12.3318
BFGS:    2 17:00:52      -75.578813       10.9353
BFGS:    3 17:00:53      -76.882652        8.9971
BFGS:    4 17:00:53      -77.893572        6.7112
BFGS:    5 17:00:53      -78.547835        3.5916
BFGS:    6 17:00:54      -78.767971        2.2343
BFGS:    7 17:00:55      -78.771527        1.8922
BFGS:    8 17:00:55      -78.799979        0.1399
BFGS:    9 17:00:56      -78.800154        0.0166
BFGS:   10 17:00:56      -78.800160        0.0027
BFGS:   11 17:00:56      -78.800160        0.0001
BFGS:   12 17:00:56      -78.800160        0.0000
BFGS:   13 17:00:56      -78.800160        0.0000
BFGS:   14 17:00:57      -78.800160        0.0000
BFGS:   15 17:00:57      -78.800160        0.0000
BFGS:   16 17:00:57      -78.800160        0.0000
Minimization converged after 16 steps.
Maximum force component: 4.711616660084232e-09 eV/Angstrom
Maximum stress component: 1.4662790612042735e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ni', 'Ni']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.35420127]
 [0.66666667 0.33333333 0.64579873]
 [0.33333333 0.66666667 0.84974855]
 [0.66666667 0.33333333 0.15025145]]
cellpar =  Cell([[3.77987709522643, 4.35725148359612e-17, 3.449647553155854e-36], [-1.889938547613215, 3.273469587649019, 3.252778022179804e-38], [-2.8246660223221273e-35, 1.851868818417695e-35, 4.669086223754233]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.48483106e-31  4.30385364e-31 -4.71161666e-09]
 [ 1.24241553e-30 -1.29115609e-30  4.71161666e-09]
 [ 7.96255496e-45 -5.22030114e-45 -1.31618589e-09]
 [-7.96255496e-45  5.22030114e-45  1.31618589e-09]]
stress =  [ 3.59901299e-11  3.59901299e-11 -1.46627906e-10 -5.18891548e-45
 -1.42376499e-45  1.12448372e-27]
energy per atom =  -15.760032059359409
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0