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:
Sim_LAMMPS_ModifiedTersoff_ByggmastarHodilleFerro_2018_BeO__SM_305223021383_000
==== 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 20:05:06      -44.334748         0.591038
BFGS:    1 20:05:06      -44.349287         0.556897
BFGS:    2 20:05:06      -44.417966         0.360448
BFGS:    3 20:05:06      -44.457897         0.173526
BFGS:    4 20:05:06      -44.470460         0.008208
BFGS:    5 20:05:06      -44.470490         0.000201
BFGS:    6 20:05:06      -44.470490         0.000000
BFGS:    7 20:05:06      -44.470490         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.8267387891362764e-30 eV/Angstrom
Maximum stress component: 9.714803101928586e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be', 'Be', 'Be', 'O', 'O', 'O', 'O']
basis =  [[1.28299763e-34 0.00000000e+00 1.28395330e-34]
 [1.41885028e-37 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.23454834e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[3.900069932646383, 3.358808638579587e-33, -3.2423864176044696e-34], [1.4656861288504083e-33, 3.900069932646383, 1.0540030973300485e-18], [-5.102350507963963e-34, 1.0540030973300485e-18, 3.900069932646383]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.56384391e-31 -1.02553757e-30  1.57035440e-30]
 [-1.60240245e-31  5.04756771e-31 -1.05758561e-30]
 [ 6.40960979e-31 -4.80720734e-31  1.44216220e-30]
 [-3.20480489e-31  5.12768783e-31 -1.82673879e-30]]
stress =  [-9.71480310e-13 -9.71480310e-13 -9.71480310e-13  4.66035441e-29
 -1.19959416e-61  6.03919857e-62]
energy per atom =  -5.558811192498287
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0