element(s):
['Mg']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5733']
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 =  229
cell =  [[3.5733, 0, 0], [0, 3.5733, 0], [0, 0, 3.5733]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:13:37       -0.839566         0.617600
BFGS:    1 16:13:37       -0.855999         0.623989
BFGS:    2 16:13:37       -0.951821         0.648679
BFGS:    3 16:13:37       -1.049002         0.641823
BFGS:    4 16:13:37       -1.141136         0.572502
BFGS:    5 16:13:37       -1.215351         0.394248
BFGS:    6 16:13:37       -1.250738         0.038418
BFGS:    7 16:13:37       -1.250929         0.015439
BFGS:    8 16:13:37       -1.250964         0.000362
BFGS:    9 16:13:37       -1.250964         0.000003
BFGS:   10 16:13:37       -1.250964         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.129669530126394e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1039303282894584, 5.894763228313854e-33, 2.3624932990685642e-34], [1.9567443798789858e-33, 3.1039303282894584, -1.2134189035900372e-17], [6.736665267022354e-35, -1.213418903590037e-17, 3.1039303282894584]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.12966953e-11 -4.12966953e-11 -4.12966953e-11 -8.91599482e-29
  6.66339106e-36 -1.10542796e-52]
energy per atom =  -0.6254820976829647
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0