element(s):
['Mg']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1895', '1.6237655']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.1895, 0, 0], [-1.59475, 2.7621880253705, 0], [0, 0, 5.179]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:02:22       -0.846416         0.638234
BFGS:    1 14:02:22       -0.863967         0.647623
BFGS:    2 14:02:22       -0.963637         0.682250
BFGS:    3 14:02:22       -1.066333         0.687888
BFGS:    4 14:02:22       -1.165886         0.639283
BFGS:    5 14:02:22       -1.251323         0.495152
BFGS:    6 14:02:22       -1.303462         0.189982
BFGS:    7 14:02:22       -1.306873         0.143797
BFGS:    8 14:02:22       -1.308556         0.024687
BFGS:    9 14:02:22       -1.308589         0.022785
BFGS:   10 14:02:22       -1.308607         0.023873
BFGS:   11 14:02:22       -1.308640         0.018163
BFGS:   12 14:02:22       -1.308658         0.007863
BFGS:   13 14:02:22       -1.308663         0.001566
BFGS:   14 14:02:22       -1.308663         0.000190
BFGS:   15 14:02:22       -1.308663         0.000016
BFGS:   16 14:02:22       -1.308663         0.000001
BFGS:   17 14:02:22       -1.308663         0.000000
BFGS:   18 14:02:22       -1.308663         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.8401719284941925e-32 eV/Angstrom
Maximum stress component: 1.6715499180687105e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.7426233366163744, -1.1176559301101743e-16, 5.2571576946030025e-37], [-1.3713116683081872, 2.3751814825218194, -1.3520268456838616e-36], [-1.2186748665126566e-35, -5.607686523653835e-36, 4.478774495383299]])
forces =  [[ 9.15564071e-33 -6.09924419e-33  1.84017193e-32]
 [ 2.11284016e-33  6.09924419e-33 -1.84017193e-32]]
stress =  [ 1.67154992e-11  1.67154992e-11  1.38320677e-11  4.82784394e-35
 -8.36207099e-35 -2.11143537e-27]
energy per atom =  -0.6543315133753347
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0