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 16:13:06      -13.439711         0.034565
BFGS:    1 16:13:06      -13.439760         0.031494
BFGS:    2 16:13:06      -13.440000         0.000234
BFGS:    3 16:13:06      -13.440000         0.000002
BFGS:    4 16:13:06      -13.440000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.962957940121629e-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([[4.044650810553483, 4.061318755775485e-33, 3.3056863252738284e-32], [2.0020995449943035e-36, 4.044650810553483, 2.5489840808591516e-20], [1.666548954306832e-32, 2.548984080860168e-20, 4.044650810553483]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.96295794e-12 -4.96295794e-12 -4.96295794e-12 -2.19695961e-27
  3.92425449e-35  9.05746137e-51]
energy per atom =  -3.360000000292563
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0