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 12:57:48      -16.173368         1.150919
BFGS:    1 12:57:48      -16.206126         1.067215
BFGS:    2 12:57:48      -16.286418         0.758240
BFGS:    3 12:57:48      -16.337113         0.394872
BFGS:    4 12:57:48      -16.354958         0.023613
BFGS:    5 12:57:48      -16.354977         0.022524
BFGS:    6 12:57:48      -16.355133         0.008384
BFGS:    7 12:57:48      -16.355137         0.001836
BFGS:    8 12:57:48      -16.355137         0.000040
BFGS:    9 12:57:48      -16.355137         0.000001
BFGS:   10 12:57:48      -16.355137         0.000000
BFGS:   11 12:57:48      -16.355137         0.000000
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, 1.4738894586364013e-17, -2.3966245513004904e-37], [-1.3184036458736264, 2.2835420995371667, -1.4085432183571313e-36], [-2.455060379472593e-37, -2.4604743959252383e-36, 4.2243578490791025]])
forces =  [[-8.66697578e-32 -7.23715313e-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 5.05999988e-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