element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:51:43      -57.245458         4.529441
BFGS:    1 15:51:43      -57.608703         2.571752
BFGS:    2 15:51:43      -57.776208         2.743108
BFGS:    3 15:51:43      -57.881025         1.070236
BFGS:    4 15:51:43      -57.906127         0.511722
BFGS:    5 15:51:43      -57.917256         0.474811
BFGS:    6 15:51:43      -57.924224         0.422377
BFGS:    7 15:51:43      -57.930387         0.296584
BFGS:    8 15:51:43      -57.936047         0.186739
BFGS:    9 15:51:43      -57.937150         0.049960
BFGS:   10 15:51:43      -57.937247         0.018388
BFGS:   11 15:51:43      -57.937254         0.014879
BFGS:   12 15:51:43      -57.937262         0.010139
BFGS:   13 15:51:43      -57.937272         0.007733
BFGS:   14 15:51:43      -57.937278         0.004670
BFGS:   15 15:51:43      -57.937280         0.001164
BFGS:   16 15:51:43      -57.937280         0.000161
BFGS:   17 15:51:43      -57.937280         0.000013
BFGS:   18 15:51:43      -57.937280         0.000002
BFGS:   19 15:51:43      -57.937280         0.000000
BFGS:   20 15:51:43      -57.937280         0.000000
BFGS:   21 15:51:43      -57.937280         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.6626263864907005e-09 eV/Angstrom
Maximum stress component: 1.7520166236381623e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.90024072e-01 1.91855311e-35 1.45710104e-35]
 [4.09975928e-01 0.00000000e+00 0.00000000e+00]
 [9.00240718e-02 5.00000000e-01 1.44945808e-35]
 [9.09975928e-01 5.00000000e-01 0.00000000e+00]
 [6.85645428e-01 0.00000000e+00 5.00000000e-01]
 [3.14354572e-01 3.78509311e-36 5.00000000e-01]
 [1.85645428e-01 5.00000000e-01 5.00000000e-01]
 [8.14354572e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.807265887256832, 1.004701375448614e-36, 0.0], [-1.800411503152466e-36, 2.7426102950835074, 0.0], [0.0, 0.0, 2.476187939922573]])
forces =  [[-2.66262639e-09 -3.42648045e-46  1.22085491e-31]
 [ 2.66262639e-09  3.42648045e-46 -1.22085491e-31]
 [-2.66262639e-09 -3.42648045e-46  1.22085491e-31]
 [ 2.66262639e-09  3.42648045e-46 -1.22085491e-31]
 [-4.16953505e-10 -5.36569096e-47  0.00000000e+00]
 [ 4.16953505e-10  5.36569096e-47  0.00000000e+00]
 [-4.16953505e-10  2.53539614e-32  0.00000000e+00]
 [ 4.16953505e-10 -3.38052819e-32  0.00000000e+00]]
stress =  [-1.75201662e-10  1.58636691e-10  9.11321093e-11  0.00000000e+00
  0.00000000e+00 -1.27863865e-46]
energy per atom =  -7.242159987678752
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0