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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== 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 12:57:47       -1.341866         2.007526
BFGS:    1 12:57:47       -0.484703        17.781487
BFGS:    2 12:57:47       -1.358136         0.359230
BFGS:    3 12:57:47       -1.359078         0.153267
BFGS:    4 12:57:47       -1.359488         0.090124
BFGS:    5 12:57:47       -1.359637         0.081740
BFGS:    6 12:57:47       -1.359688         0.019346
BFGS:    7 12:57:47       -1.359696         0.011980
BFGS:    8 12:57:47       -1.359710         0.034924
BFGS:    9 12:57:47       -1.359741         0.074717
BFGS:   10 12:57:47       -1.359804         0.118237
BFGS:   11 12:57:47       -1.359899         0.132223
BFGS:   12 12:57:47       -1.359976         0.081641
BFGS:   13 12:57:47       -1.359998         0.019803
BFGS:   14 12:57:47       -1.360000         0.001292
BFGS:   15 12:57:47       -1.360000         0.000100
BFGS:   16 12:57:47       -1.360000         0.000008
BFGS:   17 12:57:47       -1.360000         0.000000
BFGS:   18 12:57:47       -1.360000         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.224833567903261e-10 eV/Angstrom
Maximum stress component: 1.2896014239751356e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 5.00500000e-01]
 [6.66666663e-01 3.33333337e-01 5.00000002e-04]
 [3.33333330e-01 6.66666670e-01 8.75500000e-01]
 [6.66666663e-01 3.33333337e-01 3.75500000e-01]]
cellpar =  Cell([[3.0826991813867397, 3.568497640285101e-18, 2.893988366620746e-35], [-1.5413495906933699, 2.6696958033064098, -4.328109106212817e-35], [8.967500669937252e-35, -3.190589364392326e-35, 5.03402668338352]])
forces =  [[ 2.18189067e-45 -7.76305173e-46  1.22483357e-10]
 [ 2.27983206e-31 -3.94878497e-31  1.22483357e-10]
 [-3.74905717e-30  8.77507770e-31 -1.22483357e-10]
 [ 3.64773130e-30 -7.02006216e-31 -1.22483357e-10]]
stress =  [-5.39803223e-11 -5.39803223e-11  1.28960142e-10  3.66862363e-33
  6.35424252e-33  1.81769449e-26]
energy per atom =  -0.3400000000065722
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0