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_KimJeonLee_2015_MgCa__MO_611309973581_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 10:56:51        1.487322        10.650749
BFGS:    1 10:56:51        0.084738         8.334084
BFGS:    2 10:56:51       -1.009178         6.433516
BFGS:    3 10:56:51       -1.849011         4.880717
BFGS:    4 10:56:52       -2.480997         3.617567
BFGS:    5 10:56:52       -2.943223         2.596543
BFGS:    6 10:56:52       -3.268459         1.779280
BFGS:    7 10:56:52       -3.483966         1.129167
BFGS:    8 10:56:52       -3.612165         0.613351
BFGS:    9 10:56:52       -3.671474         0.207669
BFGS:   10 10:56:52       -3.680125         0.040294
BFGS:   11 10:56:52       -3.680410         0.008952
BFGS:   12 10:56:52       -3.680414         0.011178
BFGS:   13 10:56:52       -3.680420         0.012000
BFGS:   14 10:56:53       -3.680431         0.011010
BFGS:   15 10:56:53       -3.680442         0.006751
BFGS:   16 10:56:53       -3.680447         0.001855
BFGS:   17 10:56:53       -3.680448         0.000426
BFGS:   18 10:56:53       -3.680448         0.000036
BFGS:   19 10:56:53       -3.680448         0.000004
BFGS:   20 10:56:53       -3.680448         0.000000
BFGS:   21 10:56:53       -3.680448         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.4645903411926496e-32 eV/Angstrom
Maximum stress component: 3.376000802498591e-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([[3.958009724109229, -6.293997355396513e-17, 7.522939889017087e-36], [-1.9790048620546146, 3.42773696950443, -3.1241393147305532e-37], [7.102954736711188e-35, 4.1607536501203424e-34, 6.4051305537272745]])
forces =  [[ 1.42293190e-32 -1.05625300e-32  1.64172653e-68]
 [-2.23603584e-32  2.46459034e-32 -1.77008650e-68]]
stress =  [-3.37600080e-11 -3.37600080e-11 -9.23866317e-12 -4.67846881e-35
  1.98097713e-46 -1.35251820e-26]
energy per atom =  -1.8402240372536718
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0