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_PtNi__MO_020840179467_002
==== 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 15:38:46      -14.666705         3.535048
BFGS:    1 15:38:46      -15.191247         3.450913
BFGS:    2 15:38:46      -15.699352         3.314183
BFGS:    3 15:38:46      -16.182318         3.113711
BFGS:    4 15:38:46      -16.629627         2.836385
BFGS:    5 15:38:46      -17.028625         2.466809
BFGS:    6 15:38:46      -17.364160         1.986938
BFGS:    7 15:38:46      -17.618142         1.375659
BFGS:    8 15:38:46      -17.769060         0.608307
BFGS:    9 15:38:46      -17.798739         0.129779
BFGS:   10 15:38:46      -17.799994         0.009108
BFGS:   11 15:38:46      -17.800000         0.000124
BFGS:   12 15:38:46      -17.800000         0.000000
BFGS:   13 15:38:46      -17.800000         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2737650918850138e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.18769176e-34]]
cellpar =  Cell([[3.521391775890127, 9.163768544122908e-33, -1.8425050949458278e-32], [2.2855710059523943e-32, 3.5213917758901276, 1.0299870458335994e-17], [-5.3502102830564615e-33, 1.0299870458335994e-17, 3.521391775890127]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.27376509e-13  1.27376509e-13  1.27376509e-13  3.50812007e-29
 -7.24800652e-35 -1.28602481e-50]
energy per atom =  -4.45000000000464
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0