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_KangEunJun_2014_SiC__MO_477506997611_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 11:58:58     -117.773431         1.044639
BFGS:    1 11:58:58     -117.827969         0.211131
BFGS:    2 11:58:58     -117.831993         0.201215
BFGS:    3 11:58:59     -117.837352         0.174326
BFGS:    4 11:58:59     -117.840116         0.154234
BFGS:    5 11:58:59     -117.846863         0.122493
BFGS:    6 11:58:59     -117.849922         0.092934
BFGS:    7 11:58:59     -117.851547         0.078566
BFGS:    8 11:58:59     -117.852069         0.039427
BFGS:    9 11:58:59     -117.852236         0.020978
BFGS:   10 11:59:00     -117.852266         0.008000
BFGS:   11 11:59:00     -117.852272         0.008087
BFGS:   12 11:59:00     -117.852274         0.007910
BFGS:   13 11:59:00     -117.852278         0.007085
BFGS:   14 11:59:00     -117.852282         0.005272
BFGS:   15 11:59:00     -117.852287         0.004008
BFGS:   16 11:59:01     -117.852290         0.002133
BFGS:   17 11:59:01     -117.852291         0.000578
BFGS:   18 11:59:01     -117.852291         0.000097
BFGS:   19 11:59:01     -117.852291         0.000020
BFGS:   20 11:59:01     -117.852291         0.000003
BFGS:   21 11:59:01     -117.852291         0.000000
BFGS:   22 11:59:02     -117.852291         0.000000
BFGS:   23 11:59:02     -117.852291         0.000000
Minimization converged after 23 steps.
Maximum force component: 1.462558019138527e-09 eV/Angstrom
Maximum stress component: 6.621917749818714e-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 =  [[1.15851435e-37 0.00000000e+00 4.65098006e-02]
 [0.00000000e+00 0.00000000e+00 5.46509801e-01]
 [0.00000000e+00 4.34521847e-35 9.53490199e-01]
 [0.00000000e+00 0.00000000e+00 4.53490199e-01]
 [3.33333333e-01 6.66666667e-01 7.80904479e-02]
 [6.66666667e-01 3.33333333e-01 5.78090448e-01]
 [6.66666667e-01 3.33333333e-01 9.21909552e-01]
 [3.33333333e-01 6.66666667e-01 4.21909552e-01]
 [3.33333333e-01 6.66666667e-01 1.70509215e-01]
 [6.66666667e-01 3.33333333e-01 6.70509215e-01]
 [6.66666667e-01 3.33333333e-01 8.29490785e-01]
 [3.33333333e-01 6.66666667e-01 3.29490785e-01]
 [3.33333333e-01 6.66666667e-01 7.96301097e-01]
 [6.66666667e-01 3.33333333e-01 2.96301097e-01]
 [6.66666667e-01 3.33333333e-01 2.03698903e-01]
 [3.33333333e-01 6.66666667e-01 7.03698903e-01]]
cellpar =  Cell([[2.509782388288096, -8.102696438934029e-19, -1.701664350670764e-36], [-1.254891194144048, 2.1735353062282723, -3.212436038947909e-36], [-1.1489902623430434e-35, -2.923874545403153e-35, 16.501795279806874]])
forces =  [[-1.72722965e-31  1.33954455e-32  1.46255802e-09]
 [ 1.44365463e-31 -1.78605941e-31  1.46255802e-09]
 [ 2.35238366e-31 -5.02329208e-32 -1.46255802e-09]
 [-1.23741825e-31  1.42884752e-31 -1.46255802e-09]
 [-2.06236376e-32 -3.57211881e-32 -8.19051132e-10]
 [ 1.03118188e-32 -1.07163564e-31 -8.19051132e-10]
 [ 1.28897735e-31 -8.93029703e-33  8.19051132e-10]
 [ 8.24945503e-32 -1.45126434e-45  8.19051132e-10]
 [-3.60913657e-32 -8.93029703e-33 -1.18228635e-10]
 [-7.21827315e-32  1.25024158e-31 -1.18228635e-10]
 [-1.64989101e-31 -2.09430424e-46  1.18228635e-10]
 [-3.09354564e-32  1.78605941e-32  1.18228635e-10]
 [ 4.94967302e-31 -2.85769505e-31 -2.94900895e-10]
 [-2.68107288e-31  2.50048317e-31 -2.94900895e-10]
 [-4.33096389e-31  1.78605941e-31  2.94900895e-10]
 [ 3.09354564e-31 -2.50048317e-31  2.94900895e-10]]
stress =  [-1.09999870e-11 -1.09999870e-11 -6.62191775e-11 -4.58206560e-34
 -7.93637042e-34  1.93279871e-27]
energy per atom =  -7.3657681733857165
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0