element(s):
['Ag', 'Zr']
AFLOW prototype label:
AB_tP4_129_c_c
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:
['3.4606', '1.9672889', '0.6114699', '0.13967166']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ag', 'Zr']
representative atom coordinates =  [[0.         0.5        0.6114699 ]
 [0.         0.5        0.13967166]]
spacegroup =  129
cell =  [[3.4606, 0, 0], [0, 3.4606, 0], [0, 0, 6.808]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:56:58      -19.321473         0.331007
BFGS:    1 14:56:58      -19.324976         0.275006
BFGS:    2 14:56:58      -19.332949         0.066662
BFGS:    3 14:56:58      -19.333023         0.063235
BFGS:    4 14:56:58      -19.333521         0.040372
BFGS:    5 14:56:58      -19.334056         0.068730
BFGS:    6 14:56:58      -19.334785         0.098750
BFGS:    7 14:56:58      -19.335507         0.111098
BFGS:    8 14:56:58      -19.336454         0.104421
BFGS:    9 14:56:58      -19.337758         0.084415
BFGS:   10 14:56:58      -19.339088         0.078592
BFGS:   11 14:56:58      -19.339694         0.046691
BFGS:   12 14:56:58      -19.339812         0.026978
BFGS:   13 14:56:58      -19.339866         0.018916
BFGS:   14 14:56:58      -19.339941         0.021777
BFGS:   15 14:56:58      -19.340004         0.015400
BFGS:   16 14:56:58      -19.340032         0.005011
BFGS:   17 14:56:58      -19.340036         0.000800
BFGS:   18 14:56:58      -19.340036         0.000079
BFGS:   19 14:56:59      -19.340036         0.000005
BFGS:   20 14:56:59      -19.340036         0.000001
BFGS:   21 14:56:59      -19.340036         0.000000
BFGS:   22 14:56:59      -19.340036         0.000000
Minimization converged after 22 steps.
Maximum force component: 4.129810726428111e-09 eV/Angstrom
Maximum stress component: 2.1239444720410663e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'Zr', 'Zr']
basis =  [[0.00000000e+00 5.00000000e-01 6.08802682e-01]
 [5.00000000e-01 1.00000000e+00 3.91197318e-01]
 [4.94093778e-33 5.00000000e-01 1.36793617e-01]
 [5.00000000e-01 1.00000000e+00 8.63206383e-01]]
cellpar =  Cell([[3.376726248244127, 5.294662411852089e-38, -1.447357321382642e-38], [-1.0179280988348027e-36, 3.376726248244128, -6.139396094829039e-19], [2.318603361471054e-53, -1.1822203457813578e-18, 7.138957323153563]])
forces =  [[-3.90200292e-33 -3.00049645e-28  1.81188018e-09]
 [-2.60133528e-33  3.00049645e-28 -1.81188018e-09]
 [-3.25166910e-33  6.83901870e-28 -4.12981073e-09]
 [ 1.95100146e-33 -6.83901870e-28  4.12981073e-09]]
stress =  [ 2.12394447e-10  2.12394447e-10  1.36906469e-10 -3.45067866e-27
  2.55658257e-34 -7.05750075e-51]
energy per atom =  -4.835008946624804
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0