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 13:06:05     -105.090791        76.107155
BFGS:    1 13:06:05     -114.350984        53.509732
BFGS:    2 13:06:05     -119.743213        38.449497
BFGS:    3 13:06:05     -122.063496        31.334693
BFGS:    4 13:06:05     -124.601535        20.109981
BFGS:    5 13:06:05     -126.491439         8.021108
BFGS:    6 13:06:05     -126.936536         1.497842
BFGS:    7 13:06:05     -126.952954         0.170169
BFGS:    8 13:06:05     -126.953146         0.023122
BFGS:    9 13:06:05     -126.953148         0.007603
BFGS:   10 13:06:05     -126.953148         0.000273
BFGS:   11 13:06:05     -126.953148         0.000014
BFGS:   12 13:06:05     -126.953148         0.000000
BFGS:   13 13:06:06     -126.953148         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.264301562862667e-29 eV/Angstrom
Maximum stress component: 1.7241367188575535e-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([[3.9656358182749574, -2.298042966598548e-17, 3.0735942731087328e-37], [-1.9828179091374787, 3.4343413607836033, 5.651987534569587e-35], [-2.30461567274158e-35, -9.112608828298903e-35, 4.675681879607909]])
forces =  [[-1.25133402e-29  7.22458036e-30  1.53685943e-31]
 [ 1.25133402e-29 -7.22458036e-30 -1.53685943e-31]
 [-5.21389177e-30  1.26430156e-29  3.07371887e-31]
 [-3.12833506e-30  1.80614509e-30 -3.07371887e-31]]
stress =  [ 1.15470033e-10  1.15470033e-10 -1.72413672e-10  3.42888753e-45
  5.13793422e-48 -3.37037371e-26]
energy per atom =  -31.738287112840602
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0