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:
Sim_LAMMPS_MEAM_PascuetFernandez_2015_Al__SM_811588957187_000
==== 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 10:09:20      -13.438860         0.067710
BFGS:    1 10:09:20      -13.439048         0.061606
BFGS:    2 10:09:20      -13.439960         0.000992
BFGS:    3 10:09:20      -13.439960         0.000017
BFGS:    4 10:09:20      -13.439960         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.000536047723524e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [8.44725869e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.049998886140711, 2.0022523883987287e-33, 3.858018436263307e-34], [3.4516991446876e-33, 4.049998886140711, -2.1850331633728454e-18], [-4.858608787610243e-34, -2.1850331633728458e-18, 4.049998886140711]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.00053605e-10 -3.00053605e-10 -3.00053605e-10  1.45000494e-27
  1.95694864e-36 -4.66710100e-54]
energy per atom =  -3.359989957384301
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0