element(s):
['C']
AFLOW prototype label:
A_hP16_194_e3f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5225', '6.564004', '0.046707512', '0.57788125', '0.67123739', '0.29740429']
model name:
MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.04670751]
 [0.33333333 0.66666667 0.07788125]
 [0.33333333 0.66666667 0.17123739]
 [0.33333333 0.66666667 0.79740429]]
spacegroup =  194
cell =  [[2.5225, 0, 0], [-1.26125, 2.1845490810462, 0], [0, 0, 16.5577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:49:59     -117.554669         3.320143
BFGS:    1 17:49:59     -117.510223         2.507389
BFGS:    2 17:49:59     -117.708734         0.998422
BFGS:    3 17:49:59     -117.725991         0.631403
BFGS:    4 17:49:59     -117.734602         0.278159
BFGS:    5 17:49:59     -117.736378         0.263239
BFGS:    6 17:49:59     -117.747698         0.108270
BFGS:    7 17:49:59     -117.749709         0.093964
BFGS:    8 17:49:59     -117.751716         0.045131
BFGS:    9 17:49:59     -117.752217         0.020849
BFGS:   10 17:49:59     -117.752285         0.004187
BFGS:   11 17:49:59     -117.752288         0.002044
BFGS:   12 17:49:59     -117.752288         0.001995
BFGS:   13 17:49:59     -117.752288         0.001760
BFGS:   14 17:49:59     -117.752289         0.001462
BFGS:   15 17:49:59     -117.752289         0.001527
BFGS:   16 17:49:59     -117.752290         0.000775
BFGS:   17 17:49:59     -117.752290         0.000151
BFGS:   18 17:49:59     -117.752290         0.000013
BFGS:   19 17:49:59     -117.752290         0.000001
BFGS:   20 17:49:59     -117.752290         0.000000
BFGS:   21 17:49:59     -117.752290         0.000000
BFGS:   22 17:49:59     -117.752290         0.000000
BFGS:   23 17:49:59     -117.752290         0.000000
Minimization converged after 23 steps.
Maximum force component: 3.1274576817175168e-09 eV/Angstrom
Maximum stress component: 5.5325526351526764e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.04934236e-35 0.00000000e+00 4.63908543e-02]
 [0.00000000e+00 2.67103212e-35 5.46390854e-01]
 [0.00000000e+00 8.95212125e-35 9.53609146e-01]
 [3.56903786e-35 0.00000000e+00 4.53609146e-01]
 [3.33333333e-01 6.66666667e-01 7.82933812e-02]
 [6.66666667e-01 3.33333333e-01 5.78293381e-01]
 [6.66666667e-01 3.33333333e-01 9.21706619e-01]
 [3.33333333e-01 6.66666667e-01 4.21706619e-01]
 [3.33333333e-01 6.66666667e-01 1.70105235e-01]
 [6.66666667e-01 3.33333333e-01 6.70105235e-01]
 [6.66666667e-01 3.33333333e-01 8.29894765e-01]
 [3.33333333e-01 6.66666667e-01 3.29894765e-01]
 [3.33333333e-01 6.66666667e-01 7.96212280e-01]
 [6.66666667e-01 3.33333333e-01 2.96212280e-01]
 [6.66666667e-01 3.33333333e-01 2.03787720e-01]
 [3.33333333e-01 6.66666667e-01 7.03787720e-01]]
cellpar =  Cell([[2.5146498484154955, -1.1316896749851942e-18, 1.1751300502188344e-35], [-1.2573249242077478, 2.177750650350506, 2.3502457311851013e-35], [7.728360569909218e-35, 2.0983443986648686e-34, 16.4546099233524]])
forces =  [[ 1.85972715e-31 -1.78952328e-31  2.69159789e-09]
 [-2.94456798e-31 -1.34214246e-31  2.69159789e-09]
 [-1.03318175e-31  3.22114191e-31 -2.69159789e-09]
 [ 4.17227848e-31 -6.85051881e-33 -2.69159789e-09]
 [ 8.26545398e-32 -3.98823762e-44 -3.12745768e-09]
 [ 1.13649992e-31 -1.25266630e-31 -3.12745768e-09]
 [-5.16590874e-32 -5.36856984e-32  3.12745768e-09]
 [-7.23227223e-32  1.25266630e-31  3.12745768e-09]
 [-4.13272699e-32  1.43161862e-31  5.56102220e-10]
 [ 4.13272699e-31 -1.43161862e-31  5.56102220e-10]
 [ 8.26545398e-32 -1.43161862e-31 -5.56102220e-10]
 [-3.40949977e-31  1.78952328e-32 -5.56102220e-10]
 [-3.51281794e-31  3.57904656e-32 -2.66827851e-10]
 [ 4.13272699e-32 -7.15809312e-32 -2.66827851e-10]
 [ 1.23981810e-31 -2.14742794e-31  2.66827851e-10]
 [-2.89290889e-31  3.57904656e-31  2.66827851e-10]]
stress =  [ 1.41425486e-11  1.41425486e-11  5.53255264e-11 -3.12442402e-33
  9.43317081e-34 -2.82583401e-28]
energy per atom =  -7.359518114813133
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0