element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP8_186_ab_ab
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:
['3.0934', '3.2733562', '0.00019436728', '0.18764075', '0.74957521', '0.93758968']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'Si', 'Si']
representative atom coordinates =  [[0.0000000e+00 0.0000000e+00 1.9436728e-04]
 [3.3333333e-01 6.6666667e-01 7.4957521e-01]
 [0.0000000e+00 0.0000000e+00 1.8764075e-01]
 [3.3333333e-01 6.6666667e-01 9.3758968e-01]]
spacegroup =  186
cell =  [[3.0934, 0, 0], [-1.5467, 2.6789629840668, 0], [0, 0, 10.1258]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:10:40       -2.704992         1.839853
BFGS:    1 12:10:40       -2.255559        10.741028
BFGS:    2 12:10:40       -2.709893         1.439949
BFGS:    3 12:10:40       -2.645180         3.797695
BFGS:    4 12:10:40       -2.718988         0.108697
BFGS:    5 12:10:40       -2.719140         0.076279
BFGS:    6 12:10:40       -2.719364         0.075172
BFGS:    7 12:10:40       -2.719485         0.068466
BFGS:    8 12:10:40       -2.719528         0.021130
BFGS:    9 12:10:40       -2.719536         0.011387
BFGS:   10 12:10:40       -2.719545         0.021010
BFGS:   11 12:10:40       -2.719568         0.051711
BFGS:   12 12:10:40       -2.719621         0.091955
BFGS:   13 12:10:40       -2.719726         0.131940
BFGS:   14 12:10:40       -2.719870         0.132955
BFGS:   15 12:10:40       -2.719973         0.070818
BFGS:   16 12:10:40       -2.719998         0.014373
BFGS:   17 12:10:40       -2.720000         0.000555
BFGS:   18 12:10:40       -2.720000         0.000089
BFGS:   19 12:10:40       -2.720000         0.000005
BFGS:   20 12:10:40       -2.720000         0.000000
BFGS:   21 12:10:40       -2.720000         0.000000
Minimization converged after 21 steps.
Maximum force component: 3.3504221619296e-10 eV/Angstrom
Maximum stress component: 1.2549813762060255e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.55166632e-35 3.62053638e-35 1.82085048e-09]
 [4.02177178e-35 0.00000000e+00 5.00000002e-01]
 [3.33333333e-01 6.66666667e-01 7.50000002e-01]
 [6.66666667e-01 3.33333333e-01 2.50000002e-01]
 [6.72259580e-36 8.36730042e-36 1.87500002e-01]
 [8.16851448e-36 0.00000000e+00 6.87500002e-01]
 [3.33333333e-01 6.66666667e-01 9.37500002e-01]
 [6.66666667e-01 3.33333333e-01 4.37500002e-01]]
cellpar =  Cell([[3.082699181345681, 1.714658898691458e-18, -8.209503432334614e-36], [-1.5413495906728405, 2.669695803270852, -1.6245903651934452e-35], [-5.314055238508171e-35, -6.728413206927761e-35, 10.068053366641415]])
forces =  [[-1.82386565e-30  3.15902797e-30  3.30985461e-10]
 [ 2.43182087e-30 -2.21060123e-45  3.30985461e-10]
 [ 6.28220391e-30 -5.26504662e-30 -3.35042216e-10]
 [-5.47159695e-30  3.86103419e-30 -3.35042216e-10]
 [ 6.07955217e-30 -3.51003108e-30 -6.66986466e-11]
 [-5.06629347e-30  3.15902797e-30 -6.66986466e-11]
 [-3.64773130e-30  7.02006216e-31  7.07554015e-11]
 [ 8.10606956e-31 -7.02006216e-31  7.07554015e-11]]
stress =  [-5.66601401e-11 -5.66601401e-11  1.25498138e-10  7.02801370e-36
  1.21728764e-35  5.69607273e-27]
energy per atom =  -0.3400000000065643
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0