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:
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
==== 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 13:06:15      -21.378968         4.641478
BFGS:    1 13:06:15      -22.031961         4.318817
BFGS:    2 13:06:15      -22.652839         3.994969
BFGS:    3 13:06:15      -23.211630         3.625428
BFGS:    4 13:06:15      -23.696788         3.172107
BFGS:    5 13:06:15      -24.096940         2.626173
BFGS:    6 13:06:15      -24.400337         1.973935
BFGS:    7 13:06:15      -24.597138         1.209447
BFGS:    8 13:06:15      -24.680536         0.327918
BFGS:    9 13:06:15      -24.685949         0.393431
BFGS:   10 13:06:15      -24.689117         0.360178
BFGS:   11 13:06:15      -24.694631         0.143056
BFGS:   12 13:06:15      -24.695430         0.033013
BFGS:   13 13:06:15      -24.695493         0.002280
BFGS:   14 13:06:15      -24.695493         0.000139
BFGS:   15 13:06:15      -24.695493         0.000012
BFGS:   16 13:06:15      -24.695493         0.000000
BFGS:   17 13:06:15      -24.695493         0.000000
Minimization converged after 17 steps.
Maximum force component: 9.847726096078035e-31 eV/Angstrom
Maximum stress component: 3.3543810529325943e-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([[3.3289269057537383, 2.1577202833524766e-17, -2.2939693447579748e-36], [-1.6644634528768691, 2.8829352677242643, -3.411898387357409e-36], [1.7426618204339962e-36, -1.1293072412959293e-35, 4.11165144987743]])
forces =  [[ 9.84772610e-31 -9.47597885e-31  3.37866780e-32]
 [-9.84772610e-31  9.47597885e-31 -6.75733559e-32]
 [-2.46193152e-31  4.73798943e-32  5.06800169e-32]
 [-2.05160960e-31 -2.36899471e-32 -3.37866780e-32]]
stress =  [ 3.35438105e-10  3.35438105e-10  1.21451992e-10  1.73307767e-33
 -1.80106715e-33  1.25158652e-25]
energy per atom =  -6.1738732864821095
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0