element(s):
['Al', 'Pd']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0717']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.0717, 0, 0], [0, 3.0717, 0], [0, 0, 3.0717]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:23:29       -8.377120         1.041511
BFGS:    1 11:23:29       -8.418718         0.818634
BFGS:    2 11:23:29       -8.475445         0.112179
BFGS:    3 11:23:29       -8.476304         0.016382
BFGS:    4 11:23:29       -8.476323         0.000268
BFGS:    5 11:23:29       -8.476323         0.000001
BFGS:    6 11:23:29       -8.476323         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.927219731306695e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Pd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9801119037869914, -1.6778490600173953e-32, -7.362913874782819e-35], [-1.2653920754325415e-32, 2.9801119037869914, 4.171554393416106e-18], [-6.514752487422846e-33, 4.1715543934161095e-18, 2.9801119037869914]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.92721973e-12 1.92721973e-12 1.92721973e-12 2.50641328e-28
 5.78287858e-35 7.36320355e-51]
energy per atom =  -4.23816161361571
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0