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_KimJeonLee_2015_MgCa__MO_611309973581_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 17:03:27       12.638132       16.9064
BFGS:    1 17:03:27       10.230470       15.2211
BFGS:    2 17:03:27        8.064514       13.6816
BFGS:    3 17:03:27        6.119290       12.2761
BFGS:    4 17:03:27        4.375527       10.9937
BFGS:    5 17:03:27        2.815521        9.8244
BFGS:    6 17:03:27        1.423017        8.7589
BFGS:    7 17:03:27        0.183094        7.7886
BFGS:    8 17:03:27       -0.917942        6.9058
BFGS:    9 17:03:27       -1.892647        6.1031
BFGS:   10 17:03:27       -2.752535        5.3738
BFGS:   11 17:03:27       -3.508159        4.7119
BFGS:   12 17:03:27       -4.169184        4.1116
BFGS:   13 17:03:27       -4.744463        3.5678
BFGS:   14 17:03:27       -5.242095        3.0756
BFGS:   15 17:03:27       -5.669493        2.6306
BFGS:   16 17:03:27       -6.033431        2.2288
BFGS:   17 17:03:27       -6.340103        1.8664
BFGS:   18 17:03:28       -6.595166        1.5401
BFGS:   19 17:03:28       -6.803784        1.2467
BFGS:   20 17:03:28       -6.970667        0.9832
BFGS:   21 17:03:28       -7.100112        0.7471
BFGS:   22 17:03:28       -7.196035        0.5358
BFGS:   23 17:03:28       -7.262000        0.3473
BFGS:   24 17:03:28       -7.301252        0.1794
BFGS:   25 17:03:28       -7.316743        0.0302
BFGS:   26 17:03:28       -7.317230        0.0021
BFGS:   27 17:03:28       -7.317233        0.0000
BFGS:   28 17:03:28       -7.317233        0.0000
BFGS:   29 17:03:28       -7.317233        0.0000
Minimization converged after 29 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0105997024599646e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.47077538e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.37995489e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.582588127721506, -2.515812659438586e-32, 9.311762739488647e-33], [-3.1361682934532064e-32, 5.582588127721506, -1.3280282460917799e-17], [-1.4664755859652406e-32, -1.3280282460917765e-17, 5.582588127721506]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.01059970e-14 -1.01059970e-14 -1.01059970e-14 -1.01862618e-31
 -1.64792728e-35 -2.71957369e-52]
energy per atom =  -1.8293082219429653
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0