element(s):
['C', 'Nb']
AFLOW prototype label:
AB_hP4_194_c_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1551', '1.7660613']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Nb']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.         0.         0.        ]]
spacegroup =  194
cell =  [[3.1551, 0, 0], [-1.57755, 2.7323967514803, 0], [0, 0, 5.5721]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:03:44     -130.199796       142.224627
BFGS:    1 13:03:44     -136.679133       111.859734
BFGS:    2 13:03:44     -141.343038        88.971824
BFGS:    3 13:03:44     -145.566497        65.205445
BFGS:    4 13:03:44     -148.254833        50.043433
BFGS:    5 13:03:44     -150.379429        35.323473
BFGS:    6 13:03:44     -151.808731        23.526733
BFGS:    7 13:03:44     -152.710122        13.477361
BFGS:    8 13:03:44     -153.157413         4.983061
BFGS:    9 13:03:44     -153.237204         0.629653
BFGS:   10 13:03:44     -153.238568         0.034083
BFGS:   11 13:03:44     -153.238572         0.000376
BFGS:   12 13:03:44     -153.238572         0.000044
BFGS:   13 13:03:44     -153.238572         0.000000
BFGS:   14 13:03:44     -153.238572         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.6486205514476334e-30 eV/Angstrom
Maximum stress component: 3.8539620854305153e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Nb', 'Nb']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [9.99999997e-01 3.33333353e-09 6.29718313e-61]
 [9.99999997e-01 3.33333353e-09 5.00000000e-01]]
cellpar =  Cell([[3.134812247386781, 1.549518381891249e-17, -1.2949224929274978e-36], [-1.5674061236933905, 2.7148270423315415, -1.4135704479964214e-36], [2.442220814801782e-35, 6.770335704435621e-35, 6.176387865631194]])
forces =  [[-1.64862055e-30  1.42774728e-30  5.80490169e-31]
 [ 1.44254298e-30 -1.07081046e-30  2.17050655e-67]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.24565856e-11 -1.24565856e-11 -3.85396209e-10 -1.47019089e-33
  8.48815107e-34 -6.93180264e-27]
energy per atom =  -38.30964299778543
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0