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:
EMT_Asap_MetalGlass_BaileySchiotzJacobsen_2004_CuMg__MO_228059236215_001
==== 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 15:03:03       -2.971506         0.018646
BFGS:    1 15:03:03       -2.971514         0.018092
BFGS:    2 15:03:03       -2.971618         0.001752
BFGS:    3 15:03:03       -2.971619         0.001326
BFGS:    4 15:03:03       -2.971619         0.001190
BFGS:    5 15:03:03       -2.971619         0.000590
BFGS:    6 15:03:03       -2.971619         0.000139
BFGS:    7 15:03:03       -2.971619         0.000026
BFGS:    8 15:03:03       -2.971619         0.000003
BFGS:    9 15:03:03       -2.971619         0.000000
BFGS:   10 15:03:03       -2.971619         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.1366520272882412e-32 eV/Angstrom
Maximum stress component: 1.1631679554299521e-10 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([[3.1835107998129395, -1.4812358831048683e-18, -4.570826170055556e-39], [-1.5917553999064697, 2.7570012258601215, -9.081551720198704e-39], [5.919919672810085e-37, -1.1936674645894848e-36, 5.200374191751941]])
forces =  [[ 2.43228812e-69 -4.90436248e-69  2.13665203e-32]
 [-2.43228812e-69  4.90436248e-69 -2.13665203e-32]]
stress =  [-1.83968740e-11 -1.83968740e-11  1.16316796e-10 -3.83854533e-46
 -1.29413203e-46 -7.01889856e-28]
energy per atom =  -1.4858094197762393
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0