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 16:35:43      -28.828699        2.0759
BFGS:    1 16:35:43      -29.404987        3.3684
BFGS:    2 16:35:43      -29.155006        4.8032
BFGS:    3 16:35:43      -29.623824        1.7925
BFGS:    4 16:35:43      -29.724740        1.7940
BFGS:    5 16:35:43      -29.926235        1.6944
BFGS:    6 16:35:43      -30.054004        1.5533
BFGS:    7 16:35:43      -30.144923        1.3901
BFGS:    8 16:35:43      -30.213771        1.2081
BFGS:    9 16:35:43      -30.267031        1.0081
BFGS:   10 16:35:43      -30.307854        0.7899
BFGS:   11 16:35:43      -30.338090        0.5523
BFGS:   12 16:35:43      -30.359371        0.2972
BFGS:   13 16:35:43      -30.373911        0.2600
BFGS:   14 16:35:43      -30.383222        0.1828
BFGS:   15 16:35:43      -30.391905        0.1217
BFGS:   16 16:35:43      -30.392831        0.0628
BFGS:   17 16:35:43      -30.393072        0.0671
BFGS:   18 16:35:43      -30.393285        0.0656
BFGS:   19 16:35:43      -30.393869        0.0513
BFGS:   20 16:35:43      -30.394391        0.0410
BFGS:   21 16:35:43      -30.394667        0.0222
BFGS:   22 16:35:43      -30.394712        0.0046
BFGS:   23 16:35:43      -30.394714        0.0003
BFGS:   24 16:35:44      -30.394714        0.0000
BFGS:   25 16:35:44      -30.394714        0.0000
BFGS:   26 16:35:44      -30.394714        0.0000
BFGS:   27 16:35:44      -30.394714        0.0000
BFGS:   28 16:35:44      -30.394714        0.0000
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