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:
MEAM_LAMMPS_WeiZhouLi_2019_BeO__MO_344044439515_002
==== 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 09:34:43      -32.789551        0.9828
BFGS:    1 09:34:43      -32.830147        0.9448
BFGS:    2 09:34:43      -32.961385        0.8034
BFGS:    3 09:34:43      -33.070641        0.6516
BFGS:    4 09:34:43      -33.156340        0.4892
BFGS:    5 09:34:43      -33.216828        0.3154
BFGS:    6 09:34:43      -33.250369        0.1298
BFGS:    7 09:34:43      -33.256845        0.0073
BFGS:    8 09:34:43      -33.256866        0.0002
BFGS:    9 09:34:43      -33.256866        0.0000
BFGS:   10 09:34:43      -33.256866        0.0000
Minimization converged after 10 steps.
Maximum force component: 9.07884767784009e-31 eV/Angstrom
Maximum stress component: 7.145308330151994e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be', 'Be', 'Be', 'O', 'O', 'O', 'O']
basis =  [[1.31719499e-34 0.00000000e+00 1.28395330e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 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([[3.6828181466222905, -1.4832389571330483e-33, -1.823388598418186e-33], [8.901630742594953e-35, 3.6828181466222905, -1.76229688145918e-17], [-2.3570388381194225e-33, -1.7622968814591797e-17, 3.6828181466222905]])
forces =  [[ 1.51314128e-32  2.26971192e-32 -1.08609931e-49]
 [ 3.02628256e-32  1.08609931e-49 -2.26971192e-32]
 [ 3.02628256e-32  3.02628256e-32  7.56570640e-33]
 [ 3.02628256e-32 -1.51314128e-32 -7.56570640e-33]
 [ 3.02628256e-31 -1.21051302e-31 -5.29599448e-32]
 [ 1.21051302e-31  6.05256512e-32 -6.20387925e-31]
 [ 3.63153907e-31 -1.21051302e-31  6.39302191e-31]
 [-6.05256512e-32 -9.07884768e-31  7.22111211e-31]]
stress =  [-7.14530833e-13 -7.14530833e-13 -7.14530833e-13  1.02874843e-28
 -2.35448379e-62  6.27244851e-63]
energy per atom =  -4.157108204159042
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0