element(s):
['Bi']
AFLOW prototype label:
A_tI2_139_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1773', '0.86450578']
model name:
MEAM_LAMMPS_ZhouDickelBaskes_2021_Bi__MO_221877348962_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Bi']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[4.1773, 0, 0], [0, 4.1773, 0], [0, 0, 3.6113]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:05:42       -4.507664        0.9977
BFGS:    1 17:05:42       -4.543409        0.7061
BFGS:    2 17:05:42       -4.581724        0.1141
BFGS:    3 17:05:42       -4.582577        0.0351
BFGS:    4 17:05:42       -4.582640        0.0491
BFGS:    5 17:05:42       -4.582779        0.0681
BFGS:    6 17:05:42       -4.583166        0.1007
BFGS:    7 17:05:42       -4.584229        0.1534
BFGS:    8 17:05:42       -4.586411        0.1967
BFGS:    9 17:05:42       -4.588013        0.1648
BFGS:   10 17:05:42       -4.588809        0.0954
BFGS:   11 17:05:42       -4.589786        0.0178
BFGS:   12 17:05:42       -4.589837        0.0011
BFGS:   13 17:05:42       -4.589837        0.0000
BFGS:   14 17:05:42       -4.589837        0.0000
BFGS:   15 17:05:42       -4.589837        0.0000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.361456900206703e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Bi', 'Bi']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.463366115179271, -1.236049399104589e-34, 2.0896143314675306e-32], [1.652283356513795e-35, 4.463366115179269, 4.7265937478837364e-17], [-1.6610491210735152e-32, 3.756901241003427e-17, 3.453964873654923]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.85944980e-11  2.85944980e-11  6.36145690e-11 -1.32782259e-26
 -2.49856156e-35  2.60747307e-51]
energy per atom =  -2.2949186077803025
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0