element(s):
['C', 'Nb']
AFLOW prototype label:
AB_hP4_194_c_d
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:
['3.7285', '1.193429']
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      ]
 [0.33333333 0.66666667 0.75      ]]
spacegroup =  194
cell =  [[3.7285, 0, 0], [-1.86425, 3.2289757180103, 0], [0, 0, 4.4497]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:52:56     -105.090791       76.1072
BFGS:    1 15:52:56     -114.350984       53.5097
BFGS:    2 15:52:56     -119.743213       38.4495
BFGS:    3 15:52:56     -122.063496       31.3347
BFGS:    4 15:52:56     -124.601535       20.1100
BFGS:    5 15:52:56     -126.491439        8.0211
BFGS:    6 15:52:56     -126.936536        1.4978
BFGS:    7 15:52:56     -126.952954        0.1702
BFGS:    8 15:52:56     -126.953146        0.0231
BFGS:    9 15:52:57     -126.953148        0.0076
BFGS:   10 15:52:57     -126.953148        0.0003
BFGS:   11 15:52:57     -126.953148        0.0000
BFGS:   12 15:52:57     -126.953148        0.0000
BFGS:   13 15:52:57     -126.953148        0.0000
Minimization converged after 13 steps.
Maximum force component: 6.321507814313334e-30 eV/Angstrom
Maximum stress component: 1.7240279215762788e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Nb', 'Nb']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]
 [0.33333333 0.66666667 0.75      ]
 [0.66666666 0.33333334 0.25      ]]
cellpar =  Cell([[3.9656358182749587, -1.5063022105001734e-17, -1.8150055228320042e-37], [-1.9828179091374794, 3.4343413607836033, 8.011732445834798e-38], [3.9153249303051803e-36, -8.784799449705096e-36, 4.67568187960791]])
forces =  [[ 2.60694588e-30 -6.32150781e-30 -9.97437619e-68]
 [ 1.56416753e-30 -9.03072545e-31 -6.87933717e-68]
 [-3.12833506e-30  1.80614509e-30  1.37586743e-67]
 [-3.12833506e-30  1.80614509e-30  1.37586743e-67]]
stress =  [ 1.15476417e-10  1.15476417e-10 -1.72402792e-10  1.43265538e-45
  3.16725754e-46 -3.74185290e-26]
energy per atom =  -31.738287112840613
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0