element(s):
['Cu', 'Pd']
AFLOW prototype label:
A3B_cP4_221_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:
['3.7121']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Pd']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7121, 0, 0], [0, 3.7121, 0], [0, 0, 3.7121]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:33      -15.022593        0.6489
BFGS:    1 15:45:33      -15.039695        0.5807
BFGS:    2 15:45:33      -15.097256        0.1760
BFGS:    3 15:45:33      -15.102388        0.0209
BFGS:    4 15:45:33      -15.102458        0.0006
BFGS:    5 15:45:33      -15.102458        0.0000
BFGS:    6 15:45:33      -15.102458        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8993164168970253e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Pd']
basis =  [[3.76053145e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.11699100e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.6389950473454395, 2.3090323149434423e-33, -7.091189325235111e-33], [6.628426298624488e-33, 3.6389950473454395, 4.235481765441575e-18], [-1.9531542511182648e-33, 4.23548176544157e-18, 3.6389950473454395]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.89931642e-11 -1.89931642e-11 -1.89931642e-11 -5.49382941e-28
  1.93917183e-35 -7.53935458e-53]
energy per atom =  -3.775614579494706
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0