element(s):
['C', 'Nb']
AFLOW prototype label:
AB2_hP3_164_a_d
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1521', '1.5912566', '0.25048069']
model name:
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Nb']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.74951931]]
spacegroup =  164
cell =  [[3.1521, 0, 0], [-1.57605, 2.7297986752689, 0], [0, 0, 5.0158]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:12:33      -13.415614         3.682323
BFGS:    1 13:12:33      -14.167498         3.287767
BFGS:    2 13:12:33      -14.806332         2.741992
BFGS:    3 13:12:33      -15.273182         2.049227
BFGS:    4 13:12:33      -15.532513         1.259619
BFGS:    5 13:12:33      -15.624641         1.224934
BFGS:    6 13:12:33      -15.698591         1.507872
BFGS:    7 13:12:33      -15.793813         1.637155
BFGS:    8 13:12:33      -15.897924         1.435820
BFGS:    9 13:12:33      -15.984280         0.973313
BFGS:   10 13:12:33      -16.026102         0.306767
BFGS:   11 13:12:33      -16.030870         0.113399
BFGS:   12 13:12:33      -16.031470         0.043871
BFGS:   13 13:12:33      -16.031517         0.034307
BFGS:   14 13:12:33      -16.031643         0.034082
BFGS:   15 13:12:33      -16.031771         0.029918
BFGS:   16 13:12:33      -16.031863         0.014349
BFGS:   17 13:12:33      -16.031888         0.002915
BFGS:   18 13:12:33      -16.031890         0.000360
BFGS:   19 13:12:33      -16.031890         0.000074
BFGS:   20 13:12:33      -16.031890         0.000012
BFGS:   21 13:12:33      -16.031890         0.000001
BFGS:   22 13:12:34      -16.031890         0.000000
BFGS:   23 13:12:34      -16.031890         0.000000
Minimization converged after 23 steps.
Maximum force component: 4.568106021021722e-09 eV/Angstrom
Maximum stress component: 2.4916331673004016e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Nb', 'Nb']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.82320905]
 [0.66666667 0.33333333 0.17679095]]
cellpar =  Cell([[3.1630599322101802, -2.2540369506595576e-17, -9.72914152612422e-37], [-1.5815299661050901, 2.739290254986701, -4.6544005852245014e-36], [-1.0129752135394012e-35, -1.8482062852352053e-35, 4.271700783193477]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.03967263e-31 -1.97637574e-44  4.56810602e-09]
 [ 2.07934527e-31 -9.00382913e-32 -4.56810602e-09]]
stress =  [2.49163317e-10 2.49163317e-10 8.39234862e-11 1.30491651e-45
 2.43265738e-33 2.42780628e-26]
energy per atom =  -5.3439631838170785
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0