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:
EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003
==== 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 16:05:58      -58.512476         0.244921
BFGS:    1 16:05:58      -58.514986         0.233175
BFGS:    2 16:05:58      -58.537360         0.065026
BFGS:    3 16:05:59      -58.539243         0.000108
BFGS:    4 16:05:59      -58.539243         0.000000
BFGS:    5 16:05:59      -58.539243         0.000000
Minimization converged after 5 steps.
Maximum force component: 4.0044500627810195e-31 eV/Angstrom
Maximum stress component: 3.0565545851641194e-11 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([[5.951992408722561, 9.89046498458302e-34, 6.36120213765333e-35], [-9.172271439939734e-35, 5.951992408722561, 1.1600138323218294e-18], [-4.948381954926751e-35, 1.160013832321828e-18, 5.951992408722561]])
forces =  [[ 1.23801700e-31  3.79047182e-31 -7.33639706e-32]
 [ 1.16923828e-31 -4.00445006e-31  9.78186275e-32]
 [-1.39850069e-31  3.08740043e-31  2.44546569e-31]
 [ 9.93470435e-32 -3.02626379e-31  1.86466759e-31]
 [-1.64304726e-31  2.84285386e-31 -2.93455882e-31]
 [-2.59830729e-32 -1.03932292e-31  3.97388174e-31]
 [ 3.36251532e-32 -1.86466759e-31 -1.45199525e-31]
 [-1.11574372e-31  2.78171722e-31 -4.00445006e-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 =  [-3.05655459e-11 -3.05655459e-11 -3.05655459e-11  2.74141224e-28
  4.05921927e-34 -1.53607713e-51]
energy per atom =  -4.878270277781458
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0