element(s):
['Li']
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:
['3.0565', '1.639326']
model name:
MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0565, 0, 0], [-1.52825, 2.6470066466671, 0], [0, 0, 5.0106]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:57:12       -3.270084         0.028852
BFGS:    1 10:57:12       -3.270110         0.027889
BFGS:    2 10:57:12       -3.270471         0.004423
BFGS:    3 10:57:13       -3.270472         0.004723
BFGS:    4 10:57:13       -3.270473         0.004834
BFGS:    5 10:57:13       -3.270475         0.004500
BFGS:    6 10:57:13       -3.270478         0.003220
BFGS:    7 10:57:13       -3.270480         0.001243
BFGS:    8 10:57:13       -3.270481         0.000418
BFGS:    9 10:57:13       -3.270481         0.000052
BFGS:   10 10:57:13       -3.270481         0.000008
BFGS:   11 10:57:14       -3.270481         0.000000
BFGS:   12 10:57:14       -3.270481         0.000000
Minimization converged after 12 steps.
Maximum force component: 2.3702828407046618e-33 eV/Angstrom
Maximum stress component: 3.4471737809999874e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.076803036907456, -6.186399620606553e-19, 1.2011952412478838e-38], [-1.538401518453728, 2.6645895924029666, 9.876288370407107e-38], [-1.5363562334118894e-37, -5.253400288166197e-37, 5.016628163401156]])
forces =  [[-2.37028284e-33  1.36848344e-33  4.45536577e-71]
 [ 2.37028284e-33 -1.36848344e-33 -4.45536577e-71]]
stress =  [-3.44717378e-10 -3.44717378e-10 -1.52836233e-10 -6.72364890e-35
 -4.99101494e-35  8.53981933e-26]
energy per atom =  -1.6352404321509089
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0