element(s):
['Pd', 'Ti']
AFLOW prototype label:
AB3_cP8_223_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1682']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[5.1682, 0, 0], [0, 5.1682, 0], [0, 0, 5.1682]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:27:00      -40.661117         0.693509
BFGS:    1 12:27:00      -40.681069         0.648988
BFGS:    2 12:27:00      -40.761052         0.414779
BFGS:    3 12:27:00      -40.804678         0.164071
BFGS:    4 12:27:00      -40.812334         0.009348
BFGS:    5 12:27:00      -40.812358         0.000194
BFGS:    6 12:27:00      -40.812358         0.000000
BFGS:    7 12:27:00      -40.812358         0.000000
Minimization converged after 7 steps.
Maximum force component: 2.0860335870244008e-32 eV/Angstrom
Maximum stress component: 3.1641160096757016e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.84498288e-35 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [4.78309845e-43 5.00000000e-01 2.50000000e-01]
 [1.07812369e-48 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.0771745190804385, 8.178601508480339e-33, 5.71447872688097e-33], [1.8156950893465924e-32, 5.0771745190804385, -6.437520946291344e-19], [-4.094133465624364e-32, -6.437520946291087e-19, 5.0771745190804385]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.08603359e-32 -3.25942748e-34 -1.30377099e-33]
 [ 2.08603359e-32  5.86696946e-33 -2.60754198e-33]
 [ 1.95565649e-33  3.15028271e-66  2.20113714e-66]
 [-2.60754198e-33 -4.95928574e-52  3.91131298e-33]
 [ 1.79268511e-33  2.64495240e-51 -2.08603359e-32]
 [ 2.93348473e-33 -1.95565649e-33  2.08603359e-32]]
stress =  [-3.16411601e-13 -3.16411601e-13 -3.16411601e-13  6.37912671e-29
 -1.99234725e-35 -3.39870471e-52]
energy per atom =  -5.101544738118351
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0