element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0918', '1.6407271', '8.9172044e-05', '0.37591083']
model name:
MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.50008917]
 [0.33333333 0.66666667 0.87591083]]
spacegroup =  186
cell =  [[3.0918, 0, 0], [-1.5459, 2.6775773434207, 0], [0, 0, 5.0728]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:43:33      -25.403101         1.100167
BFGS:    1 11:43:33      -25.438546         0.503087
BFGS:    2 11:43:33      -25.449624         0.400384
BFGS:    3 11:43:33      -25.466558         0.115587
BFGS:    4 11:43:33      -25.467187         0.032389
BFGS:    5 11:43:33      -25.467218         0.002992
BFGS:    6 11:43:33      -25.467218         0.002404
BFGS:    7 11:43:33      -25.467218         0.001173
BFGS:    8 11:43:33      -25.467218         0.000656
BFGS:    9 11:43:33      -25.467218         0.000106
BFGS:   10 11:43:33      -25.467218         0.000007
BFGS:   11 11:43:33      -25.467218         0.000000
BFGS:   12 11:43:33      -25.467218         0.000000
BFGS:   13 11:43:33      -25.467218         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.7995642743204883e-10 eV/Angstrom
Maximum stress component: 8.462286585701216e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.50304585]
 [0.66666666 0.33333334 0.00304585]
 [0.33333333 0.66666667 0.87295415]
 [0.66666666 0.33333334 0.37295415]]
cellpar =  Cell([[3.0548576249314667, -2.72580552099765e-18, -9.441470534699327e-39], [-1.5274288124657334, 2.6455843081352453, -1.766912719478949e-38], [7.302757694587644e-37, -1.1420168825931808e-36, 5.122188218207587]])
forces =  [[-2.00821479e-31 -8.45339513e-47  3.79956427e-10]
 [-2.00821479e-31 -8.45339513e-47  3.79956427e-10]
 [ 2.00821479e-31  3.47833005e-31 -3.79956273e-10]
 [-6.10688210e-47  6.95666011e-31 -3.79956273e-10]]
stress =  [-6.06475486e-12 -6.06475486e-12 -8.46228659e-12  3.43874696e-47
  1.32438867e-47 -9.17531978e-28]
energy per atom =  -6.366804520850828
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0