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 12:17:33      -77.779577       159.646576
BFGS:    1 12:17:34     -100.239654       140.157897
BFGS:    2 12:17:34     -119.923015       122.591274
BFGS:    3 12:17:34     -137.112711       106.820368
BFGS:    4 12:17:35     -152.047506        92.558996
BFGS:    5 12:17:35     -164.951397        79.717855
BFGS:    6 12:17:35     -176.027065        68.161204
BFGS:    7 12:17:36     -185.457835        57.766484
BFGS:    8 12:17:36     -193.409553        48.422984
BFGS:    9 12:17:36     -200.032274        40.030667
BFGS:   10 12:17:36     -205.461777        32.499100
BFGS:   11 12:17:37     -209.823001        25.808092
BFGS:   12 12:17:37     -213.240406        19.813609
BFGS:   13 12:17:37     -215.798804        14.399512
BFGS:   14 12:17:38     -217.593217         9.618996
BFGS:   15 12:17:38     -218.706165         5.303167
BFGS:   16 12:17:38     -219.207819         1.460532
BFGS:   17 12:17:38     -219.252432         0.114596
BFGS:   18 12:17:39     -219.252717         0.002781
BFGS:   19 12:17:39     -219.252717         0.000005
BFGS:   20 12:17:39     -219.252717         0.000000
Minimization converged after 20 steps.
Maximum force component: 4.547320318148889e-30 eV/Angstrom
Maximum stress component: 1.2114117559765637e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 5.34570950e-34 5.00000000e-01]
 [7.50000000e-01 1.06914190e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [3.12967534e-34 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.764413330731462, -9.22382533830032e-33, -4.008524748706358e-32], [-2.4088787099866556e-32, 5.764413330731462, 2.6818770937170087e-17], [1.1186953895401166e-32, 2.6818770937170044e-17, 5.764413330731462]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.41852918e-64 -9.47358400e-32  2.36839600e-32]
 [ 1.18419800e-32  1.51577344e-30  7.05209331e-48]
 [ 6.15038100e-63 -1.51577344e-30 -9.47358400e-32]
 [-8.92392298e-63  2.36839600e-32 -4.54732032e-30]
 [-6.66111375e-32  2.11562799e-47  4.54732032e-30]]
stress =  [-1.21141176e-11 -1.21141176e-11 -1.21141176e-11  9.58581338e-28
  5.93512971e-33  9.59043563e-49]
energy per atom =  -27.406589624659475
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0