element(s):
['Mg']
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:
['4.2446']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2446, 0, 0], [0, 4.2446, 0], [0, 0, 4.2446]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:24:35       -2.155095         0.643551
BFGS:    1 15:24:35       -2.172814         0.641253
BFGS:    2 15:24:35       -2.267637         0.620615
BFGS:    3 15:24:35       -2.358165         0.583270
BFGS:    4 15:24:35       -2.441687         0.526298
BFGS:    5 15:24:35       -2.514529         0.439695
BFGS:    6 15:24:35       -2.571816         0.317439
BFGS:    7 15:24:35       -2.607919         0.155833
BFGS:    8 15:24:35       -2.615559         0.060273
BFGS:    9 15:24:35       -2.616633         0.006184
BFGS:   10 15:24:35       -2.616645         0.000214
BFGS:   11 15:24:35       -2.616645         0.000001
BFGS:   12 15:24:35       -2.616645         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.4044735423480495e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg']
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 1.98640023e-34]]
cellpar =  Cell([[3.8782314250869985, 1.6478549475217068e-32, 1.3900355890860267e-33], [1.6948509546648118e-32, 3.8782314250869985, -7.085114556742402e-18], [3.4090100167608865e-34, -7.085114556742399e-18, 3.8782314250869985]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.40447354e-12  6.40447354e-12  6.40447354e-12  6.21811258e-29
  6.40240360e-36 -1.48762404e-54]
energy per atom =  -0.6541611456274093
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0