element(s):
['C', 'Nb']
AFLOW prototype label:
A3B4_cP7_221_d_ac
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4694']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Nb', 'Nb']
representative atom coordinates =  [[0.5 0.  0. ]
 [0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[4.4694, 0, 0], [0, 4.4694, 0], [0, 0, 4.4694]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:33:54     -278.987834        46.264660
BFGS:    1 10:33:54     -284.977260        33.872336
BFGS:    2 10:33:54     -289.228038        23.050852
BFGS:    3 10:33:54     -291.962033        13.620381
BFGS:    4 10:33:55     -293.387681         5.624346
BFGS:    5 10:33:55     -293.706835         0.511557
BFGS:    6 10:33:55     -293.709678         0.027947
BFGS:    7 10:33:55     -293.709687         0.000151
BFGS:    8 10:33:55     -293.709687         0.000000
BFGS:    9 10:33:55     -293.709687         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.821320468511324e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'Nb', 'Nb', 'Nb', 'Nb']
basis =  [[5.00000000e-01 0.00000000e+00 2.31311584e-51]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.38786950e-50 6.25040858e-35 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.08346953e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.62192971547774, -3.747430577857138e-33, -1.3528651282920395e-34], [-1.4663042400143354e-32, 4.62192971547774, 1.3848197989889666e-18], [2.4759356408951593e-34, 1.3848197989889659e-18, 4.62192971547774]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.82132047e-14 -2.82132047e-14 -2.82132047e-14  6.69514038e-32
  1.53865948e-33 -3.16710777e-51]
energy per atom =  -41.95852664616218
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0