element(s):
['Mg', 'Y']
AFLOW prototype label:
A2B_hP12_194_ah_f
Parameter names:
['a', 'c/a', 'z2', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0513', '1.6254193', '0.56426309', '0.1710238']
model name:
MEAM_LAMMPS_KimJeonLee_2015_MgY__MO_018428823000_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Mg', 'Y']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.1710238  0.3420476  0.25      ]
 [0.33333333 0.66666667 0.56426309]]
spacegroup =  194
cell =  [[6.0513, 0, 0], [-3.02565, 5.2405795259208, 0], [0, 0, 9.8359]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:30:49      -31.154982        0.1162
BFGS:    1 18:30:49      -31.157166        0.1139
BFGS:    2 18:30:49      -31.169472        0.0815
BFGS:    3 18:30:49      -31.170040        0.0780
BFGS:    4 18:30:49      -31.175362        0.0344
BFGS:    5 18:30:49      -31.175473        0.0312
BFGS:    6 18:30:49      -31.175762        0.0257
BFGS:    7 18:30:49      -31.176060        0.0226
BFGS:    8 18:30:49      -31.176345        0.0152
BFGS:    9 18:30:49      -31.176426        0.0045
BFGS:   10 18:30:49      -31.176435        0.0014
BFGS:   11 18:30:49      -31.176435        0.0017
BFGS:   12 18:30:49      -31.176435        0.0017
BFGS:   13 18:30:49      -31.176436        0.0018
BFGS:   14 18:30:49      -31.176436        0.0017
BFGS:   15 18:30:49      -31.176437        0.0013
BFGS:   16 18:30:49      -31.176438        0.0006
BFGS:   17 18:30:49      -31.176439        0.0002
BFGS:   18 18:30:49      -31.176439        0.0000
BFGS:   19 18:30:49      -31.176439        0.0000
BFGS:   20 18:30:49      -31.176439        0.0000
BFGS:   21 18:30:49      -31.176439        0.0000
Minimization converged after 21 steps.
Maximum force component: 3.529201396401672e-09 eV/Angstrom
Maximum stress component: 8.610744762717449e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Y', 'Y', 'Y', 'Y']
basis =  [[0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.16991758 0.33983517 0.25      ]
 [0.66016483 0.83008242 0.25      ]
 [0.16991758 0.83008242 0.25      ]
 [0.83008242 0.66016483 0.75      ]
 [0.33983517 0.16991758 0.75      ]
 [0.83008242 0.16991758 0.75      ]
 [0.33333333 0.66666667 0.56161364]
 [0.66666667 0.33333333 0.06161364]
 [0.66666667 0.33333333 0.43838636]
 [0.33333333 0.66666667 0.93838636]]
cellpar =  Cell([[6.017762430466604, 2.5434303622718455e-18, 1.0451445028033974e-37], [-3.008881215233302, 5.211535138723664, -3.5663477816313035e-37], [-8.274964309367769e-37, -3.643811915307447e-36, 9.778109921656762]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.29281892e-25 -1.11488030e-09 -6.02622550e-32]
 [ 9.65514660e-10  5.57440149e-10  1.40611928e-31]
 [-9.65514660e-10  5.57440149e-10 -2.00874183e-32]
 [-1.73726379e-25  1.11488030e-09 -6.51141224e-47]
 [-9.65514660e-10 -5.57440149e-10  1.57883311e-47]
 [ 9.65514660e-10 -5.57440149e-10  4.93257913e-47]
 [-2.16342725e-32 -5.35309418e-33 -3.52920140e-09]
 [ 3.70873244e-32 -2.14123767e-32 -3.52920140e-09]
 [ 1.23624415e-32  2.14123767e-32  3.52920140e-09]
 [-2.98667287e-46 -1.31515663e-45  3.52920140e-09]]
stress =  [-8.61074476e-11 -8.61074476e-11 -6.43812681e-11 -7.41168453e-48
  3.68176050e-48 -1.61839569e-26]
energy per atom =  -2.5980365544440462
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0