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 20:41:17       -1.341866         2.007526
BFGS:    1 20:41:17       -0.484703        17.781487
BFGS:    2 20:41:18       -1.358136         0.359230
BFGS:    3 20:41:18       -1.359078         0.153267
BFGS:    4 20:41:18       -1.359488         0.090124
BFGS:    5 20:41:19       -1.359637         0.081740
BFGS:    6 20:41:19       -1.359688         0.019346
BFGS:    7 20:41:19       -1.359696         0.011980
BFGS:    8 20:41:19       -1.359710         0.034924
BFGS:    9 20:41:20       -1.359741         0.074717
BFGS:   10 20:41:20       -1.359804         0.118237
BFGS:   11 20:41:20       -1.359899         0.132223
BFGS:   12 20:41:21       -1.359976         0.081641
BFGS:   13 20:41:21       -1.359998         0.019803
BFGS:   14 20:41:21       -1.360000         0.001292
BFGS:   15 20:41:22       -1.360000         0.000100
BFGS:   16 20:41:22       -1.360000         0.000008
BFGS:   17 20:41:22       -1.360000         0.000000
BFGS:   18 20:41:22       -1.360000         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.2218692724275115e-10 eV/Angstrom
Maximum stress component: 1.2894973138870648e-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([[3.0826991813867477, 5.818353696878359e-19, 5.819303272331996e-35], [-1.5413495906933738, 2.669695803306418, -3.637983988437532e-35], [1.7405021799488382e-34, -6.673494475779667e-35, 5.0340266833835345]])
forces =  [[ 4.05303478e-30 -1.40401243e-30  1.22186927e-10]
 [-4.45833826e-30  2.10601865e-30  1.22186927e-10]
 [-2.63447261e-30  1.75501554e-30 -1.22186927e-10]
 [ 4.45833826e-30 -2.10601865e-30 -1.22186927e-10]]
stress =  [-5.39721000e-11 -5.39721000e-11  1.28949731e-10 -1.21437666e-43
 -4.25094020e-44  4.60446800e-27]
energy per atom =  -0.34000000000656994
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0