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:
EAM_Dynamo_ZhouJohnsonWadley_2004_Mg__MO_137404467969_005
==== 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 15:50:37       -3.099224         0.079779
BFGS:    1 15:50:37       -3.099392         0.071485
BFGS:    2 15:50:37       -3.099985         0.006619
BFGS:    3 15:50:37       -3.099986         0.004903
BFGS:    4 15:50:37       -3.099988         0.004187
BFGS:    5 15:50:37       -3.099990         0.003804
BFGS:    6 15:50:37       -3.099993         0.002020
BFGS:    7 15:50:37       -3.099993         0.000738
BFGS:    8 15:50:37       -3.099993         0.000128
BFGS:    9 15:50:37       -3.099993         0.000006
BFGS:   10 15:50:37       -3.099993         0.000000
BFGS:   11 15:50:37       -3.099993         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.4787984182953367e-32 eV/Angstrom
Maximum stress component: 4.203244834692999e-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([[3.199316825717145, 3.0690909339338246e-19, -8.28428176233662e-41], [-1.5996584128585725, 2.7706896458260393, 1.4060089445052613e-38], [1.001424199106502e-37, 3.744350337102014e-37, 5.210399154113223]])
forces =  [[-1.47879842e-32  8.53784665e-33  4.35812748e-71]
 [-8.21554677e-33 -2.84594888e-33 -1.41867194e-71]]
stress =  [-3.06468426e-10 -3.06468426e-10 -4.20324483e-10 -5.33631675e-35
 -3.08092391e-35  1.21014121e-25]
energy per atom =  -1.5499965986005115
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0