element(s):
['Pd', 'Ti']
AFLOW prototype label:
AB2_tI6_139_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1125', '3.3622811', '0.33779994']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.33779994]]
spacegroup =  139
cell =  [[3.1125, 0, 0], [0, 3.1125, 0], [0, 0, 10.4651]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:40:00      -27.587054         0.249188
BFGS:    1 15:40:00      -27.592365         0.207757
BFGS:    2 15:40:00      -27.605697         0.060478
BFGS:    3 15:40:00      -27.605869         0.049482
BFGS:    4 15:40:00      -27.606282         0.026438
BFGS:    5 15:40:00      -27.606421         0.023751
BFGS:    6 15:40:00      -27.606462         0.024731
BFGS:    7 15:40:00      -27.606476         0.023207
BFGS:    8 15:40:00      -27.606512         0.019975
BFGS:    9 15:40:00      -27.606598         0.020326
BFGS:   10 15:40:00      -27.606846         0.037768
BFGS:   11 15:40:00      -27.607535         0.070241
BFGS:   12 15:40:00      -27.608376         0.094493
BFGS:   13 15:40:00      -27.609337         0.111845
BFGS:   14 15:40:00      -27.610425         0.123759
BFGS:   15 15:40:00      -27.611653         0.130329
BFGS:   16 15:40:00      -27.613056         0.130613
BFGS:   17 15:40:00      -27.614705         0.122044
BFGS:   18 15:40:00      -27.616724         0.097731
BFGS:   19 15:40:01      -27.618974         0.030809
BFGS:   20 15:40:01      -27.619279         0.003893
BFGS:   21 15:40:01      -27.619286         0.000273
BFGS:   22 15:40:01      -27.619286         0.000036
BFGS:   23 15:40:01      -27.619286         0.000003
BFGS:   24 15:40:01      -27.619286         0.000000
BFGS:   25 15:40:01      -27.619286         0.000000
Minimization converged after 25 steps.
Maximum force component: 7.536289234465173e-09 eV/Angstrom
Maximum stress component: 1.7505784164283654e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 3.35834824e-01]
 [5.48611456e-33 0.00000000e+00 6.64165176e-01]
 [5.00000000e-01 5.00000000e-01 8.35834824e-01]
 [5.00000000e-01 5.00000000e-01 1.64165176e-01]]
cellpar =  Cell([[3.25225261247709, -7.599445419889688e-38, 1.322120279812069e-31], [2.1585749850443843e-36, 3.25225261247709, -1.251225099815688e-16], [-9.40051035986562e-33, -4.3592548492766287e-16, 9.735589473378539]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.27690555e-42  3.37448504e-25 -7.53628923e-09]
 [-1.00217771e-32 -3.37448554e-25  7.53628923e-09]
 [ 7.27690555e-42  3.37448519e-25 -7.53628923e-09]
 [ 2.00435542e-32 -3.37448539e-25  7.53628923e-09]]
stress =  [-1.75057842e-10 -1.75057842e-10 -1.08308448e-10  3.69921034e-26
 -1.45983981e-34  3.24149553e-50]
energy per atom =  -4.603214280725205
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0