element(s):
['Pt']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.949']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.949, 0, 0], [0, 3.949, 0], [0, 0, 3.949]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:29:24      -12.502841         2.564799
BFGS:    1 15:29:24      -12.779146         2.458080
BFGS:    2 15:29:24      -13.134108         2.264915
BFGS:    3 15:29:24      -13.455393         2.007145
BFGS:    4 15:29:24      -13.732406         1.672400
BFGS:    5 15:29:24      -13.952547         1.246258
BFGS:    6 15:29:24      -14.100879         0.711931
BFGS:    7 15:29:24      -14.159746         0.049900
BFGS:    8 15:29:24      -14.159997         0.005789
BFGS:    9 15:29:24      -14.160000         0.000040
BFGS:   10 15:29:24      -14.160000         0.000000
BFGS:   11 15:29:24      -14.160000         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4258621024297193e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.6133156766980066, 2.6211493631140675e-33, 2.422271684809778e-33], [5.058432255568487e-33, 3.6133156766980066, 1.037207515946759e-17], [1.974612076896741e-33, 1.037207515946759e-17, 3.6133156766980066]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.42586210e-14 -1.42586210e-14 -1.42586210e-14 -1.88040077e-30
 -5.83903446e-36 -1.31905881e-52]
energy per atom =  -3.5400000001831833
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0