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 15:57:07       -2.704992        1.8399
BFGS:    1 15:57:07       -2.255559       10.7410
BFGS:    2 15:57:07       -2.709893        1.4399
BFGS:    3 15:57:07       -2.645180        3.7977
BFGS:    4 15:57:07       -2.718988        0.1087
BFGS:    5 15:57:07       -2.719140        0.0763
BFGS:    6 15:57:07       -2.719364        0.0752
BFGS:    7 15:57:07       -2.719485        0.0685
BFGS:    8 15:57:07       -2.719528        0.0211
BFGS:    9 15:57:07       -2.719536        0.0114
BFGS:   10 15:57:07       -2.719545        0.0210
BFGS:   11 15:57:07       -2.719568        0.0517
BFGS:   12 15:57:07       -2.719621        0.0920
BFGS:   13 15:57:07       -2.719726        0.1319
BFGS:   14 15:57:07       -2.719870        0.1330
BFGS:   15 15:57:07       -2.719973        0.0708
BFGS:   16 15:57:07       -2.719998        0.0144
BFGS:   17 15:57:07       -2.720000        0.0006
BFGS:   18 15:57:07       -2.720000        0.0001
BFGS:   19 15:57:07       -2.720000        0.0000
BFGS:   20 15:57:07       -2.720000        0.0000
BFGS:   21 15:57:07       -2.720000        0.0000
Minimization converged after 21 steps.
Maximum force component: 3.3447955516408e-10 eV/Angstrom
Maximum stress component: 1.2551684259910112e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.89520432e-35 0.00000000e+00 1.82083186e-09]
 [0.00000000e+00 0.00000000e+00 5.00000002e-01]
 [3.33333333e-01 6.66666667e-01 7.50000002e-01]
 [6.66666667e-01 3.33333333e-01 2.50000002e-01]
 [1.26318960e-35 5.08611916e-35 1.87500002e-01]
 [2.91228725e-35 2.27560400e-35 6.87500002e-01]
 [3.33333333e-01 6.66666667e-01 9.37500002e-01]
 [6.66666667e-01 3.33333333e-01 4.37500002e-01]]
cellpar =  Cell([[3.082699181345683, 1.4146775899215247e-18, 6.678476731991837e-37], [-1.5413495906728416, 2.669695803270854, 1.7616139929456888e-36], [4.9047861356120224e-36, 8.181669954326152e-36, 10.068053366641427]])
forces =  [[ 2.83712434e-30 -2.10601865e-30  3.31306316e-10]
 [-8.10606956e-31  1.40401243e-30  3.31306316e-10]
 [-5.26894521e-30  3.51003108e-30 -3.34479555e-10]
 [ 5.26894521e-30 -3.51003108e-30 -3.34479555e-10]
 [ 1.62121391e-30 -2.80802486e-30 -6.70659084e-11]
 [-4.05303478e-30  1.40401243e-30 -6.70659084e-11]
 [ 6.07955217e-31 -1.05300932e-30  7.02391478e-11]
 [-4.05303478e-31  7.02006216e-31  7.02391478e-11]]
stress =  [-5.66692165e-11 -5.66692165e-11  1.25516843e-10 -9.78299634e-33
 -7.84630971e-45  2.52127436e-27]
energy per atom =  -0.3400000000065638
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0