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 16:29:34      -31.154982         0.116236
BFGS:    1 16:29:34      -31.157166         0.113886
BFGS:    2 16:29:34      -31.169472         0.081516
BFGS:    3 16:29:34      -31.170040         0.078013
BFGS:    4 16:29:34      -31.175362         0.034391
BFGS:    5 16:29:34      -31.175473         0.031247
BFGS:    6 16:29:34      -31.175762         0.025664
BFGS:    7 16:29:34      -31.176060         0.022624
BFGS:    8 16:29:35      -31.176345         0.015187
BFGS:    9 16:29:35      -31.176426         0.004529
BFGS:   10 16:29:35      -31.176435         0.001435
BFGS:   11 16:29:35      -31.176435         0.001658
BFGS:   12 16:29:35      -31.176435         0.001714
BFGS:   13 16:29:35      -31.176436         0.001812
BFGS:   14 16:29:35      -31.176436         0.001740
BFGS:   15 16:29:35      -31.176437         0.001280
BFGS:   16 16:29:35      -31.176438         0.000617
BFGS:   17 16:29:35      -31.176439         0.000189
BFGS:   18 16:29:35      -31.176439         0.000023
BFGS:   19 16:29:35      -31.176439         0.000003
BFGS:   20 16:29:35      -31.176439         0.000000
BFGS:   21 16:29:35      -31.176439         0.000000
Minimization converged after 21 steps.
Maximum force component: 3.5292025066246957e-09 eV/Angstrom
Maximum stress component: 8.61073384726048e-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([[6.017762430466605, 3.463075029057902e-18, -1.3242439845062888e-37], [-3.0088812152333024, 5.211535138723665, -2.108807415645736e-37], [8.479240334537956e-38, 1.0750653751470613e-36, 9.778109921656764]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 8.03675617e-26 -1.11488500e-09  3.01311275e-32]
 [ 9.65518736e-10  5.57442502e-10 -4.01748367e-32]
 [-9.65518736e-10  5.57442502e-10  2.00874183e-32]
 [-2.09384958e-25  1.11488500e-09 -4.01748367e-32]
 [-9.65518736e-10 -5.57442502e-10  4.01748367e-32]
 [ 9.65518736e-10 -5.57442502e-10  4.01748367e-32]
 [-8.34464798e-32 -2.67654709e-32 -3.52920251e-09]
 [-3.06040293e-47 -3.88022169e-46 -3.52920251e-09]
 [-1.23624415e-32  2.14123767e-32  3.52920251e-09]
 [ 1.54530518e-32  5.88840359e-32  3.52920251e-09]]
stress =  [-8.61073385e-11 -8.61073385e-11 -6.43810929e-11 -6.04699881e-35
 -6.98247278e-35  1.92694224e-26]
energy per atom =  -2.5980365544440454
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0