element(s):
['Al', 'Nb']
AFLOW prototype label:
AB3_cP8_223_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.2281']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Nb']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[5.2281, 0, 0], [0, 5.2281, 0], [0, 0, 5.2281]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:22:09      -77.779577       159.646576
BFGS:    1 13:22:09     -100.239654       140.157897
BFGS:    2 13:22:09     -119.923015       122.591274
BFGS:    3 13:22:09     -137.112711       106.820368
BFGS:    4 13:22:09     -152.047506        92.558996
BFGS:    5 13:22:09     -164.951397        79.717855
BFGS:    6 13:22:09     -176.027065        68.161204
BFGS:    7 13:22:09     -185.457835        57.766484
BFGS:    8 13:22:09     -193.409553        48.422984
BFGS:    9 13:22:10     -200.032274        40.030667
BFGS:   10 13:22:10     -205.461777        32.499100
BFGS:   11 13:22:10     -209.823001        25.808092
BFGS:   12 13:22:10     -213.240406        19.813609
BFGS:   13 13:22:10     -215.798804        14.399512
BFGS:   14 13:22:10     -217.593217         9.618996
BFGS:   15 13:22:10     -218.706165         5.303167
BFGS:   16 13:22:10     -219.207819         1.460532
BFGS:   17 13:22:10     -219.252432         0.114596
BFGS:   18 13:22:10     -219.252717         0.002781
BFGS:   19 13:22:10     -219.252717         0.000005
BFGS:   20 13:22:10     -219.252717         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.8189281272595553e-29 eV/Angstrom
Maximum stress component: 1.2117283068912932e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.   0.5 ]
 [0.75 0.   0.5 ]
 [0.5  0.25 0.  ]
 [0.5  0.75 0.  ]
 [0.   0.5  0.25]
 [0.   0.5  0.75]]
cellpar =  Cell([[5.764413330731461, 3.9256767749671017e-32, 1.229600097323609e-32], [3.4675621219511395e-32, 5.764413330731461, 2.6747278324644183e-18], [1.0134826097109093e-32, 2.674727832464414e-18, 5.764413330731461]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.40918251e-65  2.36839600e-32 -9.47358400e-32]
 [-5.91890925e-65 -2.36839600e-32  4.73679200e-32]
 [-1.42103760e-31  6.06309376e-30  4.73679200e-32]
 [-4.73679200e-32 -6.06309376e-30 -4.73679200e-32]
 [ 4.73679200e-32 -1.42103760e-31 -1.81892813e-29]
 [-6.06901475e-32 -4.73679200e-32  1.81892813e-29]]
stress =  [-1.21172831e-11 -1.21172831e-11 -1.21172831e-11  1.16020736e-27
  3.95675314e-33 -4.88043566e-49]
energy per atom =  -27.406589624659485
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0