element(s):
['Be']
AFLOW prototype label:
A_hP2_194_c
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:
['2.2635', '1.5770267']
model name:
EAM_Dynamo_AgrawalMishraWard_2013_Be__MO_404563086984_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Be']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.2635, 0, 0], [-1.13175, 1.9602485014661, 0], [0, 0, 3.5696]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:01:05       -6.238267         2.193319
BFGS:    1 18:01:05       -6.338546         1.578051
BFGS:    2 18:01:05       -6.435115         0.627155
BFGS:    3 18:01:05       -6.450634         0.110568
BFGS:    4 18:01:05       -6.451061         0.053886
BFGS:    5 18:01:05       -6.451135         0.048548
BFGS:    6 18:01:05       -6.451386         0.002106
BFGS:    7 18:01:05       -6.451386         0.000099
BFGS:    8 18:01:05       -6.451386         0.000001
BFGS:    9 18:01:05       -6.451386         0.000000
Minimization converged after 9 steps.
Maximum force component: 6.211772193468542e-32 eV/Angstrom
Maximum stress component: 1.4134847940460662e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.3328594985397384, 1.0004453214308108e-17, -6.657524583911727e-38], [-1.1664297492698692, 2.0203155891952402, -3.3418365083573567e-38], [5.3550878930360225e-37, 1.9204415416147164e-36, 3.7796912397750826]])
forces =  [[ 8.80087392e-69  3.15616928e-68  6.21177219e-32]
 [-8.80087392e-69 -3.15616928e-68 -6.21177219e-32]]
stress =  [ 1.41348479e-10  1.41348479e-10  1.54737550e-11 -1.27787178e-33
 -3.49474555e-34 -4.23232831e-26]
energy per atom =  -17409.382802876633
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0