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_KangEunJun_2014_SiC__MO_477506997611_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      -13.942776        6.3208
BFGS:    1 14:43:05      -14.092634        0.7270
BFGS:    2 14:43:05      -14.106399        0.4110
BFGS:    3 14:43:05      -14.115159        0.3222
BFGS:    4 14:43:05      -14.116220        0.3237
BFGS:    5 14:43:05      -14.124241        0.3382
BFGS:    6 14:43:05      -14.134898        0.5259
BFGS:    7 14:43:05      -14.146491        0.6632
BFGS:    8 14:43:05      -14.158854        0.7747
BFGS:    9 14:43:05      -14.171705        0.8708
BFGS:   10 14:43:05      -14.184836        0.9547
BFGS:   11 14:43:05      -14.198051        1.0261
BFGS:   12 14:43:05      -14.211134        1.0835
BFGS:   13 14:43:05      -14.223861        1.1232
BFGS:   14 14:43:05      -14.236024        1.1394
BFGS:   15 14:43:05      -14.247510        1.1216
BFGS:   16 14:43:05      -14.258531        1.0491
BFGS:   17 14:43:05      -14.270679        0.8622
BFGS:   18 14:43:05      -14.285937        0.5559
BFGS:   19 14:43:05      -14.304190        0.0936
BFGS:   20 14:43:05      -14.305572        0.0222
BFGS:   21 14:43:05      -14.305635        0.0024
BFGS:   22 14:43:05      -14.305636        0.0000
BFGS:   23 14:43:05      -14.305636        0.0000
BFGS:   24 14:43:05      -14.305636        0.0000
Minimization converged after 24 steps.
Maximum force component: 1.6547686072480598e-31 eV/Angstrom
Maximum stress component: 1.182821942640077e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[0.33333333 0.66666667 0.        ]
 [0.66666666 0.33333334 0.        ]]
cellpar =  Cell([[2.5172021018602013, -7.414829738147743e-18, 7.735572542728463e-37], [-1.2586010509301007, 2.1799609666705186, -1.5492679037458443e-36], [-2.618802743087329e-35, -4.151577317593814e-35, 2.6806618848586488]])
forces =  [[-1.65476861e-31  4.87439108e-49  9.32913865e-54]
 [-1.65476861e-31  4.87439108e-49 -5.08524230e-68]]
stress =  [ 1.18282194e-09  1.18282194e-09 -1.97188122e-11  1.85977075e-44
  1.16616852e-44 -1.68051473e-25]
energy per atom =  -7.152818053284278
===============================================
==== 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      -14.182837        1.0296
BFGS:    1 14:43:06      -14.208158        0.5942
BFGS:    2 14:43:06      -14.224663        0.3273
BFGS:    3 14:43:06      -14.226623        0.3270
BFGS:    4 14:43:06      -14.237080        0.3557
BFGS:    5 14:43:06      -14.247600        0.4987
BFGS:    6 14:43:06      -14.258652        0.5736
BFGS:    7 14:43:06      -14.269956        0.6024
BFGS:    8 14:43:06      -14.281028        0.5885
BFGS:    9 14:43:06      -14.291246        0.5248
BFGS:   10 14:43:06      -14.299723        0.3836
BFGS:   11 14:43:06      -14.304254        0.1289
BFGS:   12 14:43:06      -14.305444        0.0424
BFGS:   13 14:43:06      -14.305636        0.0012
BFGS:   14 14:43:06      -14.305636        0.0000
BFGS:   15 14:43:06      -14.305636        0.0000
BFGS:   16 14:43:06      -14.305636        0.0000
Minimization converged after 16 steps.
Maximum force component: 2.2389932773467392e-52 eV/Angstrom
Maximum stress component: 3.8822056888633446e-13 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 3.72818135e-35]]
cellpar =  Cell([[2.5172021014350783, -1.0322253648003972e-17, 1.3801421943452847e-36], [-1.2586010507175391, 2.179960966302351, 3.00161339555846e-36], [5.1368701994085797e-36, 1.3431043256791371e-37, 2.680661885595766]])
forces =  [[4.29051418e-88 1.12181308e-89 2.23899328e-52]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
stress =  [-3.88220569e-13 -3.88220569e-13 -2.82350673e-13  8.72030638e-49
  1.02844956e-48  1.25140872e-28]
energy per atom =  -7.152818053284279
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0