element(s):
['Be', 'O']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7102', '1.6238654', '9.9344193e-05', '0.37800066']
model name:
MEAM_LAMMPS_WeiZhouLi_2019_BeO__MO_344044439515_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Be', 'O']
representative atom coordinates =  [[0.33333333 0.66666667 0.50009934]
 [0.33333333 0.66666667 0.87800066]]
spacegroup =  186
cell =  [[2.7102, 0, 0], [-1.3551, 2.3471020493366, 0], [0, 0, 4.401]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:40:50      -16.173368        1.1509
BFGS:    1 15:40:50      -16.206126        1.0672
BFGS:    2 15:40:50      -16.286418        0.7582
BFGS:    3 15:40:50      -16.337113        0.3949
BFGS:    4 15:40:50      -16.354958        0.0236
BFGS:    5 15:40:50      -16.354977        0.0225
BFGS:    6 15:40:50      -16.355133        0.0084
BFGS:    7 15:40:50      -16.355137        0.0018
BFGS:    8 15:40:50      -16.355137        0.0000
BFGS:    9 15:40:50      -16.355137        0.0000
BFGS:   10 15:40:50      -16.355137        0.0000
BFGS:   11 15:40:50      -16.355137        0.0000
Minimization converged after 11 steps.
Maximum force component: 1.2417070598969564e-09 eV/Angstrom
Maximum stress component: 1.9349736322823135e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be', 'O', 'O']
basis =  [[3.33333330e-01 6.66666670e-01 5.00063308e-01]
 [6.66666663e-01 3.33333337e-01 6.33083793e-05]
 [3.33333330e-01 6.66666670e-01 8.78036692e-01]
 [6.66666663e-01 3.33333337e-01 3.78036692e-01]]
cellpar =  Cell([[2.6368072917472527, 1.1589907541941969e-17, -1.499639170572587e-37], [-1.3184036458736264, 2.2835420995371667, 1.1389650453689082e-36], [6.07458993987449e-38, -6.396479276225034e-37, 4.2243578490791025]])
forces =  [[-8.66697578e-32 -1.88398806e-46  1.24170605e-09]
 [ 4.33348789e-32 -7.50582120e-32  1.24170605e-09]
 [-1.30004637e-31  7.50582120e-32 -1.24170706e-09]
 [ 2.38341834e-31 -1.12587318e-31 -1.24170706e-09]]
stress =  [1.08443884e-10 1.08443884e-10 1.93497363e-10 9.58323195e-34
 1.84429385e-34 4.93937992e-26]
energy per atom =  -4.088784315774279
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0