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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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 16:44:17     -105.840509         0.507446
BFGS:    1 16:44:17     -105.857932         0.499973
BFGS:    2 16:44:18     -105.910181         0.449610
BFGS:    3 16:44:18     -105.939096         0.413321
BFGS:    4 16:44:19     -105.988204         0.382337
BFGS:    5 16:44:19     -106.037719         0.390244
BFGS:    6 16:44:20     -106.085077         0.362360
BFGS:    7 16:44:20     -106.127114         0.306926
BFGS:    8 16:44:20     -106.160713         0.229240
BFGS:    9 16:44:21     -106.183051         0.131926
BFGS:   10 16:44:21     -106.191395         0.012633
BFGS:   11 16:44:21     -106.191434         0.005318
BFGS:   12 16:44:21     -106.191444         0.000007
BFGS:   13 16:44:22     -106.191444         0.000000
BFGS:   14 16:44:22     -106.191444         0.000000
Minimization converged after 14 steps.
Maximum force component: 8.068557094766675e-11 eV/Angstrom
Maximum stress component: 3.7464186513165223e-14 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 =  [[1.28439998e-33 5.13824254e-34 1.28583017e-33]
 [5.13588303e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.30875251e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.40992693e-34]
 [6.25379844e-01 6.25379844e-01 6.25379844e-01]
 [3.74620156e-01 3.74620156e-01 6.25379844e-01]
 [3.74620156e-01 6.25379844e-01 3.74620156e-01]
 [6.25379844e-01 3.74620156e-01 3.74620156e-01]
 [6.25379844e-01 1.25379844e-01 1.25379844e-01]
 [3.74620156e-01 8.74620156e-01 1.25379844e-01]
 [3.74620156e-01 1.25379844e-01 8.74620156e-01]
 [6.25379844e-01 8.74620156e-01 8.74620156e-01]
 [1.25379844e-01 6.25379844e-01 1.25379844e-01]
 [8.74620156e-01 3.74620156e-01 1.25379844e-01]
 [8.74620156e-01 6.25379844e-01 8.74620156e-01]
 [1.25379844e-01 3.74620156e-01 8.74620156e-01]
 [1.25379844e-01 1.25379844e-01 6.25379844e-01]
 [8.74620156e-01 8.74620156e-01 6.25379844e-01]
 [8.74620156e-01 1.25379844e-01 3.74620156e-01]
 [1.25379844e-01 8.74620156e-01 3.74620156e-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([[6.769253688420628, -3.767595697436461e-33, -1.04851834066994e-32], [9.872135588275551e-33, 6.769253688420628, 1.543460856641618e-18], [-1.0126389897552484e-33, 1.5434608566416136e-18, 6.769253688420628]])
forces =  [[-5.21484335e-33 -6.95312447e-33 -6.95312447e-33]
 [-9.36018012e-66 -6.95312447e-33 -5.21484335e-33]
 [-6.95312447e-33  1.73828112e-33  3.96346331e-52]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-8.06855709e-11 -8.06855709e-11 -8.06855709e-11]
 [ 8.06855709e-11  8.06855709e-11 -8.06855709e-11]
 [ 8.06855709e-11 -8.06855709e-11  8.06855709e-11]
 [-8.06855709e-11  8.06855709e-11  8.06855709e-11]
 [-8.06855709e-11 -8.06855709e-11 -8.06855709e-11]
 [ 8.06855709e-11  8.06855709e-11 -8.06855709e-11]
 [ 8.06855709e-11 -8.06855709e-11  8.06855709e-11]
 [-8.06855709e-11  8.06855709e-11  8.06855709e-11]
 [-8.06855709e-11 -8.06855709e-11 -8.06855709e-11]
 [ 8.06855709e-11  8.06855709e-11 -8.06855709e-11]
 [ 8.06855709e-11 -8.06855709e-11  8.06855709e-11]
 [-8.06855709e-11  8.06855709e-11  8.06855709e-11]
 [-8.06855709e-11 -8.06855709e-11 -8.06855709e-11]
 [ 8.06855709e-11  8.06855709e-11 -8.06855709e-11]
 [ 8.06855709e-11 -8.06855709e-11  8.06855709e-11]
 [-8.06855709e-11  8.06855709e-11  8.06855709e-11]
 [-4.51953090e-32  5.56249958e-31 -4.17187468e-32]
 [ 5.00624962e-31 -4.24140593e-31 -9.67085047e-50]
 [-1.11249992e-31  3.33749975e-31  5.56249958e-32]
 [-6.25781202e-32 -3.54609348e-31 -8.34374936e-32]]
stress =  [-3.74641865e-14 -3.74641865e-14 -3.74641865e-14 -1.31099925e-29
  2.12129096e-63  3.60304787e-63]
energy per atom =  -4.4246435056320825
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0