element(s):
['Al', 'Pd']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9161']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pd']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[5.9161, 0, 0], [0, 5.9161, 0], [0, 0, 5.9161]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:05:32      -44.997859         0.839412
BFGS:    1 15:05:32      -45.027664         0.817539
BFGS:    2 15:05:32      -45.143284         0.723218
BFGS:    3 15:05:32      -45.244370         0.623721
BFGS:    4 15:05:32      -45.330131         0.518848
BFGS:    5 15:05:32      -45.399745         0.408392
BFGS:    6 15:05:32      -45.452359         0.292140
BFGS:    7 15:05:33      -45.487087         0.169872
BFGS:    8 15:05:33      -45.503008         0.041359
BFGS:    9 15:05:33      -45.503976         0.001367
BFGS:   10 15:05:33      -45.503977         0.000010
BFGS:   11 15:05:33      -45.503977         0.000000
Minimization converged after 11 steps.
Maximum force component: 3.5019287135049305e-31 eV/Angstrom
Maximum stress component: 1.6166156510674666e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[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]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [0.00000000e+00 7.50645205e-17 7.50645205e-17]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.50645205e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.50645205e-17]]
cellpar =  Cell([[5.72995382078085, 3.0492154694881673e-32, 3.532377839735007e-32], [8.920852177048621e-32, 5.72995382078085, 2.0441123206090083e-18], [2.446398148933538e-32, 2.0441123206090244e-18, 5.72995382078085]])
forces =  [[-1.04469302e-31 -6.47415392e-32  2.35423779e-31]
 [-1.10354896e-32  1.32425876e-32 -2.41309374e-31]
 [-6.76843365e-32 -1.76567834e-32  1.42725666e-31]
 [-2.94279724e-33  4.41419586e-33 -1.79510632e-31]
 [ 6.62129379e-32  7.94555254e-32  1.64796645e-31]
 [ 6.91557351e-32  1.02997903e-32 -3.50192871e-31]
 [ 3.78885144e-32  5.29703503e-32 -4.00956124e-32]
 [ 1.76108022e-32  4.11991613e-32  3.32536088e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 1.61661565e-10  1.61661565e-10  1.61661565e-10 -4.05483385e-26
 -2.42459202e-34  6.98006764e-50]
energy per atom =  -3.79199812132504
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0