element(s):
['Al']
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:
['4.039']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:22:54      -13.439711         0.034565
BFGS:    1 20:22:54      -13.439760         0.031494
BFGS:    2 20:22:54      -13.440000         0.000234
BFGS:    3 20:22:54      -13.440000         0.000002
BFGS:    4 20:22:54      -13.440000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.962623766200773e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
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 3.72005604e-37]]
cellpar =  Cell([[4.044650810553484, -1.881728918459965e-36, -1.503970127306249e-32], [2.002092922509629e-36, 4.044650810553484, 2.566523967354973e-20], [-3.312718674518984e-33, 2.5665239673549733e-20, 4.044650810553484]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.96262377e-12 -4.96262377e-12 -4.96262377e-12  1.10193887e-27
  2.74697815e-35 -6.09958543e-51]
energy per atom =  -3.3600000002925654
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0