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:
EAM_Dynamo_MendelevSunZhang_2019_CuZr__MO_609260676108_000
==== 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 15:41:52      -93.706474         0.600322
BFGS:    1 15:41:52      -93.724944         0.576808
BFGS:    2 15:41:52      -93.802698         0.436649
BFGS:    3 15:41:52      -93.845447         0.291745
BFGS:    4 15:41:52      -93.871267         0.246420
BFGS:    5 15:41:52      -93.891234         0.210557
BFGS:    6 15:41:52      -93.908572         0.082484
BFGS:    7 15:41:52      -93.911545         0.018015
BFGS:    8 15:41:52      -93.911765         0.002176
BFGS:    9 15:41:52      -93.911767         0.000108
BFGS:   10 15:41:52      -93.911767         0.000004
BFGS:   11 15:41:52      -93.911767         0.000000
BFGS:   12 15:41:52      -93.911767         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.8005703100294627e-11 eV/Angstrom
Maximum stress component: 3.469024175928942e-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 =  [[0.00000000e+00 1.22447328e-40 0.00000000e+00]
 [1.12617490e-38 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [6.25489608e-01 6.25489608e-01 6.25489608e-01]
 [3.74510392e-01 3.74510392e-01 6.25489608e-01]
 [3.74510392e-01 6.25489608e-01 3.74510392e-01]
 [6.25489608e-01 3.74510392e-01 3.74510392e-01]
 [6.25489608e-01 1.25489608e-01 1.25489608e-01]
 [3.74510392e-01 8.74510392e-01 1.25489608e-01]
 [3.74510392e-01 1.25489608e-01 8.74510392e-01]
 [6.25489608e-01 8.74510392e-01 8.74510392e-01]
 [1.25489608e-01 6.25489608e-01 1.25489608e-01]
 [8.74510392e-01 3.74510392e-01 1.25489608e-01]
 [8.74510392e-01 6.25489608e-01 8.74510392e-01]
 [1.25489608e-01 3.74510392e-01 8.74510392e-01]
 [1.25489608e-01 1.25489608e-01 6.25489608e-01]
 [8.74510392e-01 8.74510392e-01 6.25489608e-01]
 [8.74510392e-01 1.25489608e-01 3.74510392e-01]
 [1.25489608e-01 8.74510392e-01 3.74510392e-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([[6.830693306155118, -1.1937192526207602e-32, 7.1564013631143e-34], [-1.0446331453972301e-32, 6.830693306155118, -7.829149591820352e-19], [-2.5800155599106334e-33, -7.82914959182035e-19, 6.830693306155118]])
forces =  [[-2.80649318e-32 -2.80649318e-32 -1.40324659e-32]
 [ 3.20605451e-65 -1.40324659e-32 -2.80649318e-32]
 [-1.40324659e-32 -2.80649318e-32  3.21672398e-51]
 [ 5.35207078e-65 -2.80649318e-32 -2.80649318e-32]
 [ 1.80057031e-11  1.80057031e-11  1.80057031e-11]
 [-1.80057031e-11 -1.80057031e-11  1.80057031e-11]
 [-1.80057031e-11  1.80057031e-11 -1.80057031e-11]
 [ 1.80057031e-11 -1.80057031e-11 -1.80057031e-11]
 [ 1.80057031e-11  1.80057031e-11  1.80057031e-11]
 [-1.80057031e-11 -1.80057031e-11  1.80057031e-11]
 [-1.80057031e-11  1.80057031e-11 -1.80057031e-11]
 [ 1.80057031e-11 -1.80057031e-11 -1.80057031e-11]
 [ 1.80057031e-11  1.80057031e-11  1.80057031e-11]
 [-1.80057031e-11 -1.80057031e-11  1.80057031e-11]
 [-1.80057031e-11  1.80057031e-11 -1.80057031e-11]
 [ 1.80057031e-11 -1.80057031e-11 -1.80057031e-11]
 [ 1.80057031e-11  1.80057031e-11  1.80057031e-11]
 [-1.80057031e-11 -1.80057031e-11  1.80057031e-11]
 [-1.80057031e-11  1.80057031e-11 -1.80057031e-11]
 [ 1.80057031e-11 -1.80057031e-11 -1.80057031e-11]
 [-7.01623295e-32  4.20973977e-32  5.47266170e-31]
 [-7.01623295e-32 -2.38551920e-31 -8.27915488e-31]
 [-1.26292193e-31 -1.96454523e-31  3.50811647e-31]
 [-7.15655761e-31 -5.33233704e-31 -3.22746716e-31]]
stress =  [3.46902418e-11 3.46902418e-11 3.46902418e-11 6.48452068e-28
 1.92627237e-35 3.94802503e-52]
energy per atom =  -3.912990305254404
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0