element(s):
['Mg']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2446']
model name:
MEAM_LAMMPS_KimLee_2017_MgNd__MO_059320827436_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2446, 0, 0], [0, 4.2446, 0], [0, 0, 4.2446]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:26:05       -5.692584         1.321869
BFGS:    1 16:26:05       -5.763942         1.198198
BFGS:    2 16:26:05       -5.920537         0.895582
BFGS:    3 16:26:05       -6.034290         0.626447
BFGS:    4 16:26:05       -6.109993         0.387771
BFGS:    5 16:26:05       -6.152005         0.176780
BFGS:    6 16:26:05       -6.164159         0.019455
BFGS:    7 16:26:05       -6.164319         0.001157
BFGS:    8 16:26:05       -6.164319         0.000008
BFGS:    9 16:26:05       -6.164319         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.641287991124276e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 1.7016633e-34 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[4.52717042168076, -2.4918615501339348e-33, 3.566575320510206e-34], [-1.7070924255559862e-32, 4.52717042168076, -1.2145259852413025e-17], [-7.127925783917148e-35, -1.2145259852413025e-17, 4.52717042168076]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.64128799e-10 -1.64128799e-10 -1.64128799e-10  1.58077429e-27
 -2.74077634e-36  2.31258922e-53]
energy per atom =  -1.5410798567682682
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0