element(s):
['Be', 'O']
AFLOW prototype label:
AB_tP8_136_f_g
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.6418', '0.5815201', '0.82640069', '0.18859019']
model name:
MEAM_LAMMPS_WeiZhouLi_2019_BeO__MO_344044439515_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Be', 'O']
representative atom coordinates =  [[0.82640069 0.82640069 0.        ]
 [0.18859019 0.81140981 0.        ]]
spacegroup =  136
cell =  [[4.6418, 0, 0], [0, 4.6418, 0], [0, 0, 2.6993]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 22:02:31      -28.828699         2.075912
BFGS:    1 22:02:31      -29.404987         3.368401
BFGS:    2 22:02:31      -29.155006         4.803204
BFGS:    3 22:02:31      -29.623824         1.792507
BFGS:    4 22:02:31      -29.724740         1.793977
BFGS:    5 22:02:31      -29.926235         1.694373
BFGS:    6 22:02:31      -30.054004         1.553308
BFGS:    7 22:02:31      -30.144923         1.390061
BFGS:    8 22:02:31      -30.213771         1.208123
BFGS:    9 22:02:31      -30.267031         1.008131
BFGS:   10 22:02:31      -30.307854         0.789872
BFGS:   11 22:02:31      -30.338090         0.552299
BFGS:   12 22:02:31      -30.359371         0.297247
BFGS:   13 22:02:31      -30.373911         0.259951
BFGS:   14 22:02:31      -30.383222         0.182797
BFGS:   15 22:02:31      -30.391905         0.121703
BFGS:   16 22:02:31      -30.392831         0.062807
BFGS:   17 22:02:31      -30.393072         0.067126
BFGS:   18 22:02:31      -30.393285         0.065586
BFGS:   19 22:02:31      -30.393869         0.051283
BFGS:   20 22:02:31      -30.394391         0.040954
BFGS:   21 22:02:31      -30.394667         0.022163
BFGS:   22 22:02:31      -30.394712         0.004641
BFGS:   23 22:02:31      -30.394714         0.000284
BFGS:   24 22:02:31      -30.394714         0.000022
BFGS:   25 22:02:31      -30.394714         0.000001
BFGS:   26 22:02:31      -30.394714         0.000000
BFGS:   27 22:02:31      -30.394714         0.000000
BFGS:   28 22:02:31      -30.394714         0.000000
Minimization converged after 28 steps.
Maximum force component: 5.2079812424957844e-09 eV/Angstrom
Maximum stress component: 1.4720312537185352e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be', 'Be', 'Be', 'O', 'O', 'O', 'O']
basis =  [[8.43240399e-01 8.43240399e-01 8.14629761e-34]
 [1.56759601e-01 1.56759601e-01 0.00000000e+00]
 [6.56759601e-01 3.43240399e-01 5.00000000e-01]
 [3.43240399e-01 6.56759601e-01 5.00000000e-01]
 [1.94569377e-01 8.05430623e-01 0.00000000e+00]
 [8.05430623e-01 1.94569377e-01 4.27680625e-33]
 [6.94569377e-01 6.94569377e-01 5.00000000e-01]
 [3.05430623e-01 3.05430623e-01 5.00000000e-01]]
cellpar =  Cell([[4.692886925465504, -5.0135293593416305e-36, -1.830644927303891e-32], [-1.1793790203926233e-35, 4.692886925465503, 4.114568586986701e-19], [-4.589327318219073e-32, 4.830964986702772e-19, 2.5414915943811667]])
forces =  [[-5.03536228e-09 -5.03536228e-09 -4.41436980e-28]
 [ 5.03536228e-09  5.03536228e-09  4.41499633e-28]
 [ 5.03536228e-09 -5.03536228e-09 -4.41546622e-28]
 [-5.03536228e-09  5.03536228e-09  4.41515296e-28]
 [ 5.20798124e-09 -5.20798124e-09 -4.56618631e-28]
 [-5.20798124e-09  5.20798124e-09  4.56634294e-28]
 [ 5.20798124e-09  5.20798124e-09  4.56618631e-28]
 [-5.20798124e-09 -5.20798124e-09 -4.56681283e-28]]
stress =  [-1.48151128e-11 -1.48151128e-11 -1.47203125e-10  2.51258008e-26
 -5.16727644e-34  9.79742886e-50]
energy per atom =  -3.7993392497498912
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0