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:
MEAM_LAMMPS_WeiZhouLi_2019_BeO__MO_344044439515_002
==== 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 17:01:52       -6.801262         0.610696
BFGS:    1 17:01:52       -6.807794         0.532216
BFGS:    2 17:01:52       -6.828122         0.116070
BFGS:    3 17:01:52       -6.828978         0.023907
BFGS:    4 17:01:52       -6.829001         0.019110
BFGS:    5 17:01:52       -6.829029         0.016422
BFGS:    6 17:01:52       -6.829055         0.008466
BFGS:    7 17:01:52       -6.829064         0.003422
BFGS:    8 17:01:52       -6.829065         0.000740
BFGS:    9 17:01:52       -6.829065         0.000046
BFGS:   10 17:01:52       -6.829065         0.000003
BFGS:   11 17:01:52       -6.829065         0.000000
BFGS:   12 17:01:52       -6.829065         0.000000
Minimization converged after 12 steps.
Maximum force component: 8.153306614168902e-33 eV/Angstrom
Maximum stress component: 1.2938259091942907e-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([[2.291415983643332, 1.2572985211357992e-18, -7.22450363069317e-38], [-1.145707991821666, 1.9844244524728323, -1.4419784568460652e-37], [3.5901288336716925e-36, 1.0997292206758803e-35, 3.702449796795663]])
forces =  [[ 4.70731377e-33  8.15330661e-33 -7.60603619e-33]
 [-4.70731377e-33 -8.15330661e-33  7.60603619e-33]]
stress =  [-2.51787719e-12 -2.51787719e-12 -1.29382591e-10 -5.59210679e-33
 -1.93716262e-33 -6.68772018e-29]
energy per atom =  -3.4145325630564787
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0