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:
Sim_LAMMPS_ADP_SmirnovaStarikovVlasova_2018_MgH__SM_899925688973_000
==== 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 16:00:03       -2.995277         0.268394
BFGS:    1 16:00:03       -2.998098         0.221499
BFGS:    2 16:00:03       -3.003455         0.030462
BFGS:    3 16:00:03       -3.003550         0.001670
BFGS:    4 16:00:03       -3.003550         0.000010
BFGS:    5 16:00:03       -3.003550         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.3188811545898675e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5378011246183783, -2.2857453305328184e-33, 1.3463279714479987e-32], [4.6812693779991184e-33, 3.5378011246183783, -9.545742432937024e-19], [1.3609902608502687e-32, -9.545742432937014e-19, 3.5378011246183783]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.31888115e-11 -3.31888115e-11 -3.31888115e-11 -1.67528705e-26
  1.64135445e-34  4.14658916e-50]
energy per atom =  -1.5017749314047029
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0