element(s):
['C']
AFLOW prototype label:
A_hP2_191_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.4677', '1.6162824']
Parameter values for parameter set 1:
['2.4647', '1.3417049']
model name:
MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]]
spacegroup =  191
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 3.9885]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:58:52      -14.626243         2.205377
BFGS:    1 17:58:52      -14.693353         2.002175
BFGS:    2 17:58:52      -14.786495         1.711520
BFGS:    3 17:58:52      -14.865577         1.456822
BFGS:    4 17:58:52      -14.932656         1.234947
BFGS:    5 17:58:52      -14.989433         1.042768
BFGS:    6 17:58:52      -15.037350         0.877214
BFGS:    7 17:58:52      -15.077651         0.735334
BFGS:    8 17:58:52      -15.112364         0.722313
BFGS:    9 17:58:52      -15.142776         0.499038
BFGS:   10 17:58:52      -15.177150         2.191076
BFGS:   11 17:58:52      -15.270317         0.058755
BFGS:   12 17:58:52      -15.270398         0.041274
BFGS:   13 17:58:52      -15.270477         0.000015
BFGS:   14 17:58:52      -15.270477         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.622583740667638e-52 eV/Angstrom
Maximum stress component: 2.850672255417612e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 0.00000000e+00]
 [6.66666663e-01 3.33333337e-01 4.98409605e-36]]
cellpar =  Cell([[2.4709032439484515, -1.975587075548962e-19, 2.6771949690235944e-37], [-1.2354516219742258, 2.139864979552737, 2.2140929714265862e-36], [3.401989084127967e-36, 1.9147163274726506e-35, 5.048779986748948]])
forces =  [[-3.78863182e-88 -2.13232760e-87 -5.62258374e-52]
 [ 3.78863182e-88  2.13232760e-87  5.62258374e-52]]
stress =  [ 2.85067226e-10  2.85067226e-10  1.03896463e-70 -1.08109855e-45
 -1.92085136e-46  4.65939140e-26]
energy per atom =  -7.635238611225673
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]]
spacegroup =  191
cell =  [[2.4647, 0, 0], [-1.23235, 2.1344928127075, 0], [0, 0, 3.3069]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:58:53      -13.387515         4.378730
BFGS:    1 17:58:53      -13.603864         3.993410
BFGS:    2 17:58:53      -13.797163         3.629438
BFGS:    3 17:58:53      -13.970901         3.285409
BFGS:    4 17:58:53      -14.127220         2.961343
BFGS:    5 17:58:53      -14.267633         2.657750
BFGS:    6 17:58:53      -14.393378         2.375152
BFGS:    7 17:58:53      -14.505569         2.113851
BFGS:    8 17:58:53      -14.605267         1.873842
BFGS:    9 17:58:53      -14.693509         1.654797
BFGS:   10 17:58:53      -14.771308         1.456098
BFGS:   11 17:58:53      -14.839645         1.276884
BFGS:   12 17:58:53      -14.899462         1.116110
BFGS:   13 17:58:53      -14.951652         0.972596
BFGS:   14 17:58:53      -14.997049         0.845087
BFGS:   15 17:58:53      -15.036427         0.732290
BFGS:   16 17:58:53      -15.070495         0.632910
BFGS:   17 17:58:53      -15.099924         0.552641
BFGS:   18 17:58:53      -15.128783         0.457880
BFGS:   19 17:58:53      -15.150003         0.393011
BFGS:   20 17:58:53      -15.193539         2.832771
BFGS:   21 17:58:53      -15.270477         0.001064
BFGS:   22 17:58:53      -15.270477         0.000766
BFGS:   23 17:58:53      -15.270477         0.000000
Minimization converged after 23 steps.
Maximum force component: 3.573531443770483e-30 eV/Angstrom
Maximum stress component: 3.8881903651565994e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 4.97932060e-37]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]]
cellpar =  Cell([[2.470903243434602, 9.899859019865792e-19, 3.2065850186577556e-36], [-1.235451621717301, 2.1398649791077298, -3.033026989489455e-36], [-5.2389381980318314e-36, 3.833985501007485e-35, 5.043022111312419]])
forces =  [[ 3.57353144e-30 -1.68805582e-30 -5.61617147e-52]
 [-3.57353144e-30  1.68805582e-30  5.61617147e-52]]
stress =  [-3.88819037e-10 -3.88819037e-10  6.03159138e-71  2.95601827e-45
 -4.03924246e-46  9.84383076e-26]
energy per atom =  -7.6352386112256685
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0