element(s):
['Cu', 'Zr']
AFLOW prototype label:
A5B_cF24_216_ae_c
Parameter names:
['a', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.8929', '0.62583382']
model name:
MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Cu', 'Zr']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.62583382 0.62583382 0.62583382]
 [0.25       0.25       0.25      ]]
spacegroup =  216
cell =  [[6.8929, 0, 0], [0, 6.8929, 0], [0, 0, 6.8929]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:44:16      -96.965088         0.319008
BFGS:    1 16:44:16      -96.986157         0.216014
BFGS:    2 16:44:16      -97.004682         0.204105
BFGS:    3 16:44:16      -97.006801         0.198180
BFGS:    4 16:44:17      -97.026994         0.123048
BFGS:    5 16:44:17      -97.039667         0.105634
BFGS:    6 16:44:17      -97.044570         0.048304
BFGS:    7 16:44:17      -97.045297         0.010638
BFGS:    8 16:44:18      -97.045351         0.000883
BFGS:    9 16:44:18      -97.045352         0.000071
BFGS:   10 16:44:18      -97.045352         0.000005
BFGS:   11 16:44:19      -97.045352         0.000000
BFGS:   12 16:44:19      -97.045352         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.18272503480769e-10 eV/Angstrom
Maximum stress component: 3.286653711098497e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[5.13600781e-34 8.98767307e-34 5.14082863e-34]
 [8.98768274e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.18105938e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.93016767e-34]
 [6.24740103e-01 6.24740103e-01 6.24740103e-01]
 [3.75259897e-01 3.75259897e-01 6.24740103e-01]
 [3.75259897e-01 6.24740103e-01 3.75259897e-01]
 [6.24740103e-01 3.75259897e-01 3.75259897e-01]
 [6.24740103e-01 1.24740103e-01 1.24740103e-01]
 [3.75259897e-01 8.75259897e-01 1.24740103e-01]
 [3.75259897e-01 1.24740103e-01 8.75259897e-01]
 [6.24740103e-01 8.75259897e-01 8.75259897e-01]
 [1.24740103e-01 6.24740103e-01 1.24740103e-01]
 [8.75259897e-01 3.75259897e-01 1.24740103e-01]
 [8.75259897e-01 6.24740103e-01 8.75259897e-01]
 [1.24740103e-01 3.75259897e-01 8.75259897e-01]
 [1.24740103e-01 1.24740103e-01 6.24740103e-01]
 [8.75259897e-01 8.75259897e-01 6.24740103e-01]
 [8.75259897e-01 1.24740103e-01 3.75259897e-01]
 [1.24740103e-01 8.75259897e-01 3.75259897e-01]
 [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([[6.934996864430333, 6.136677199128113e-33, -7.165403360770207e-34], [-4.3777595052037274e-33, 6.934996864430333, -7.21454606450121e-20], [1.245474236160609e-33, -7.21454606450114e-20, 6.934996864430333]])
forces =  [[-3.56168483e-33 -3.56168483e-33 -7.12336967e-33]
 [ 3.56168483e-33  1.11157682e-52 -1.06850545e-32]
 [ 4.16729240e-66 -3.56168483e-33  1.06850545e-32]
 [ 1.60868320e-66 -3.56168483e-33 -3.56168483e-33]
 [-1.18272503e-10 -1.18272503e-10 -1.18272503e-10]
 [ 1.18272503e-10  1.18272503e-10 -1.18272503e-10]
 [ 1.18272503e-10 -1.18272503e-10  1.18272503e-10]
 [-1.18272503e-10  1.18272503e-10  1.18272503e-10]
 [-1.18272503e-10 -1.18272503e-10 -1.18272503e-10]
 [ 1.18272503e-10  1.18272503e-10 -1.18272503e-10]
 [ 1.18272503e-10 -1.18272503e-10  1.18272503e-10]
 [-1.18272503e-10  1.18272503e-10  1.18272503e-10]
 [-1.18272503e-10 -1.18272503e-10 -1.18272503e-10]
 [ 1.18272503e-10  1.18272503e-10 -1.18272503e-10]
 [ 1.18272503e-10 -1.18272503e-10  1.18272503e-10]
 [-1.18272503e-10  1.18272503e-10  1.18272503e-10]
 [-1.18272503e-10 -1.18272503e-10 -1.18272503e-10]
 [ 1.18272503e-10  1.18272503e-10 -1.18272503e-10]
 [ 1.18272503e-10 -1.18272503e-10  1.18272503e-10]
 [-1.18272503e-10  1.18272503e-10  1.18272503e-10]
 [ 2.90633482e-30  5.69869573e-32 -2.84934787e-31]
 [ 1.45316741e-30 -6.26856531e-31  2.84934787e-31]
 [ 8.26310881e-31  1.02576523e-30 -3.70415223e-31]
 [-8.54804360e-31  4.55895659e-31 -4.27402180e-31]]
stress =  [-3.28665371e-11 -3.28665371e-11 -3.28665371e-11 -1.79955034e-27
 -2.56287793e-34 -7.04138606e-51]
energy per atom =  -4.043556345806366
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0