element(s):
['Be', 'O']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8249']
model name:
MEAM_LAMMPS_WeiZhouLi_2019_BeO__MO_344044439515_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Be', 'O']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[3.8249, 0, 0], [0, 3.8249, 0], [0, 0, 3.8249]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:03:17      -32.789551         0.982754
BFGS:    1 19:03:17      -32.830147         0.944812
BFGS:    2 19:03:17      -32.961385         0.803358
BFGS:    3 19:03:17      -33.070641         0.651646
BFGS:    4 19:03:17      -33.156340         0.489169
BFGS:    5 19:03:17      -33.216828         0.315403
BFGS:    6 19:03:17      -33.250369         0.129796
BFGS:    7 19:03:17      -33.256845         0.007341
BFGS:    8 19:03:17      -33.256866         0.000157
BFGS:    9 19:03:17      -33.256866         0.000000
BFGS:   10 19:03:17      -33.256866         0.000000
Minimization converged after 10 steps.
Maximum force component: 3.117071036058431e-30 eV/Angstrom
Maximum stress component: 7.148652479413047e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be', 'Be', 'Be', 'O', 'O', 'O', 'O']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[3.68281814662229, 1.330298920467505e-33, 4.228298597266931e-34], [-2.476571490322052e-33, 3.68281814662229, 1.1948865022632048e-17], [-1.1883653686444459e-34, 1.1948865022632056e-17, 3.68281814662229]])
forces =  [[ 1.51314128e-32  3.68202831e-50  1.13485596e-32]
 [ 1.51314128e-32 -1.51314128e-32  1.51314128e-32]
 [-1.51314128e-32  7.56570640e-33  1.51314128e-32]
 [ 5.67427980e-33 -1.51314128e-32  7.56570640e-33]
 [-4.23679558e-31  5.74993686e-31 -2.23944909e-30]
 [ 1.21051302e-30 -1.05919890e-31 -3.11707104e-30]
 [-4.23679558e-31  1.27103867e-30  2.60260300e-30]
 [ 1.21051302e-31  6.35519337e-31  2.06193585e-48]]
stress =  [-7.14865248e-13 -7.14865248e-13 -7.14865248e-13 -2.11191816e-29
  1.96975169e-62 -1.62522389e-61]
energy per atom =  -4.157108204159041
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0