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:
MEAM_LAMMPS_KimLee_2017_MgNd__MO_059320827436_002
==== 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 15:03:17       -3.097327         0.091167
BFGS:    1 15:03:17       -3.097623         0.080712
BFGS:    2 15:03:17       -3.098674         0.005389
BFGS:    3 15:03:17       -3.098676         0.007004
BFGS:    4 15:03:17       -3.098678         0.007355
BFGS:    5 15:03:18       -3.098682         0.006272
BFGS:    6 15:03:18       -3.098684         0.003387
BFGS:    7 15:03:18       -3.098686         0.000884
BFGS:    8 15:03:18       -3.098686         0.000159
BFGS:    9 15:03:18       -3.098686         0.000015
BFGS:   10 15:03:18       -3.098686         0.000001
BFGS:   11 15:03:18       -3.098686         0.000000
BFGS:   12 15:03:18       -3.098686         0.000000
Minimization converged after 12 steps.
Maximum force component: 9.88869497325508e-33 eV/Angstrom
Maximum stress component: 1.0683390890928139e-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([[3.2090649902900936, -2.501144717187671e-18, 5.378844286198445e-38], [-1.6045324951450468, 2.7791318039864845, 4.184794301111054e-38], [5.5880059862491425e-36, 3.93848489783398e-37, 5.1969105399916575]])
forces =  [[-9.88869497e-33  5.70924070e-33 -2.45296706e-71]
 [ 9.88869497e-33 -5.70924070e-33  2.45296706e-71]]
stress =  [-1.06833909e-11 -1.06833909e-11 -7.44049365e-13 -2.66695751e-34
 -2.15567609e-34 -1.14496574e-27]
energy per atom =  -1.5493428501944038
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0