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 14:43:05      -14.626243        2.2054
BFGS:    1 14:43:05      -14.693353        2.0022
BFGS:    2 14:43:05      -14.786495        1.7115
BFGS:    3 14:43:05      -14.865577        1.4568
BFGS:    4 14:43:05      -14.932656        1.2349
BFGS:    5 14:43:05      -14.989433        1.0428
BFGS:    6 14:43:05      -15.037350        0.8772
BFGS:    7 14:43:05      -15.077651        0.7353
BFGS:    8 14:43:05      -15.112364        0.7223
BFGS:    9 14:43:05      -15.142776        0.4990
BFGS:   10 14:43:05      -15.177150        2.1911
BFGS:   11 14:43:05      -15.270317        0.0588
BFGS:   12 14:43:05      -15.270398        0.0413
BFGS:   13 14:43:05      -15.270477        0.0000
BFGS:   14 14:43:05      -15.270477        0.0000
Minimization converged after 14 steps.
Maximum force component: 4.220139562051786e-31 eV/Angstrom
Maximum stress component: 2.8506712255949097e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[0.33333333 0.66666667 0.        ]
 [0.66666666 0.33333334 0.        ]]
cellpar =  Cell([[2.470903243948451, 4.244624281594317e-19, 5.632113949709407e-37], [-1.2354516219742255, 2.1398649795527374, 8.491556536791354e-36], [5.020067757264933e-36, 1.0922058753320608e-35, 5.048779986748946]])
forces =  [[-8.12166237e-32  4.22013956e-31  1.75705742e-53]
 [ 8.12166237e-32 -4.22013956e-31 -1.75705742e-53]]
stress =  [ 2.85067123e-10  2.85067123e-10  7.88125515e-74 -6.16687570e-46
 -2.83445956e-46 -1.16415834e-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 14:43:06      -13.387515        4.3787
BFGS:    1 14:43:06      -13.603864        3.9934
BFGS:    2 14:43:06      -13.797163        3.6294
BFGS:    3 14:43:06      -13.970901        3.2854
BFGS:    4 14:43:06      -14.127220        2.9613
BFGS:    5 14:43:06      -14.267633        2.6578
BFGS:    6 14:43:06      -14.393378        2.3752
BFGS:    7 14:43:06      -14.505569        2.1139
BFGS:    8 14:43:06      -14.605267        1.8738
BFGS:    9 14:43:06      -14.693509        1.6548
BFGS:   10 14:43:06      -14.771308        1.4561
BFGS:   11 14:43:06      -14.839645        1.2769
BFGS:   12 14:43:06      -14.899462        1.1161
BFGS:   13 14:43:06      -14.951652        0.9726
BFGS:   14 14:43:06      -14.997049        0.8451
BFGS:   15 14:43:06      -15.036427        0.7323
BFGS:   16 14:43:06      -15.070495        0.6329
BFGS:   17 14:43:06      -15.099924        0.5526
BFGS:   18 14:43:06      -15.128783        0.4579
BFGS:   19 14:43:06      -15.150003        0.3930
BFGS:   20 14:43:06      -15.193539        2.8328
BFGS:   21 14:43:06      -15.270477        0.0011
BFGS:   22 14:43:06      -15.270477        0.0008
BFGS:   23 14:43:06      -15.270477        0.0000
Minimization converged after 23 steps.
Maximum force component: 1.949198969329355e-30 eV/Angstrom
Maximum stress component: 3.888193380408403e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[0.33333333 0.66666667 0.        ]
 [0.66666666 0.33333334 0.        ]]
cellpar =  Cell([[2.470903243434603, -1.3712138125271486e-19, -3.966397833751329e-36], [-1.2354516217173015, 2.1398649791077293, -6.91461887539665e-36], [4.0138612161907305e-38, -9.227356561342541e-36, 5.043022111312419]])
forces =  [[ 1.94919897e-30 -1.12537055e-30  1.55049088e-66]
 [-1.94919897e-30  1.12537055e-30 -1.55049088e-66]]
stress =  [-3.88819338e-10 -3.88819338e-10  5.32627912e-71 -7.11433460e-46
  3.09470557e-48  3.21909269e-26]
energy per atom =  -7.63523861122567
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0