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 17:14:56      -14.666705        3.5350
BFGS:    1 17:14:56      -15.191247        3.4509
BFGS:    2 17:14:56      -15.699352        3.3142
BFGS:    3 17:14:56      -16.182318        3.1137
BFGS:    4 17:14:56      -16.629627        2.8364
BFGS:    5 17:14:56      -17.028625        2.4668
BFGS:    6 17:14:56      -17.364160        1.9869
BFGS:    7 17:14:56      -17.618142        1.3757
BFGS:    8 17:14:56      -17.769060        0.6083
BFGS:    9 17:14:56      -17.798739        0.1298
BFGS:   10 17:14:56      -17.799994        0.0091
BFGS:   11 17:14:56      -17.800000        0.0001
BFGS:   12 17:14:56      -17.800000        0.0000
BFGS:   13 17:14:56      -17.800000        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2710342831865527e-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 8.75076705e-34]]
cellpar =  Cell([[3.521391775890127, -2.360211514976298e-32, 3.593486377006503e-33], [-5.778261545812925e-33, 3.5213917758901276, 4.4743185468085897e-17], [-2.453688420799792e-33, 4.474318546808589e-17, 3.5213917758901268]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.27103428e-13  1.27103428e-13  1.27103428e-13  3.48562719e-30
 -4.64593636e-62 -8.42789461e-63]
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