element(s):
['Al', 'Pt']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0702']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.0702, 0, 0], [0, 3.0702, 0], [0, 0, 3.0702]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:43:34      -11.222699        0.6212
BFGS:    1 14:43:34      -11.235853        0.3643
BFGS:    2 14:43:34      -11.242314        0.0277
BFGS:    3 14:43:34      -11.242350        0.0011
BFGS:    4 14:43:34      -11.242350        0.0000
BFGS:    5 14:43:34      -11.242350        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.5977069618370475e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0385673896558227, -7.585888343202719e-33, -4.965589921836058e-33], [-1.3538971617683787e-33, 3.0385673896558227, -1.124291043039205e-19], [-5.121066969270311e-33, -1.1242910430392086e-19, 3.0385673896558227]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.59770696e-11 -2.59770696e-11 -2.59770696e-11  2.48683885e-27
 -5.56251855e-35 -1.31738238e-51]
energy per atom =  -5.621174884557224
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0