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:
Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000
==== 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 14:58:53       -3.270084        0.0289
BFGS:    1 14:58:53       -3.270110        0.0279
BFGS:    2 14:58:53       -3.270471        0.0044
BFGS:    3 14:58:53       -3.270472        0.0047
BFGS:    4 14:58:53       -3.270473        0.0048
BFGS:    5 14:58:53       -3.270475        0.0045
BFGS:    6 14:58:53       -3.270478        0.0032
BFGS:    7 14:58:53       -3.270480        0.0012
BFGS:    8 14:58:53       -3.270481        0.0004
BFGS:    9 14:58:53       -3.270481        0.0001
BFGS:   10 14:58:53       -3.270481        0.0000
BFGS:   11 14:58:53       -3.270481        0.0000
BFGS:   12 14:58:53       -3.270481        0.0000
Minimization converged after 12 steps.
Maximum force component: 1.2882232533000482e-33 eV/Angstrom
Maximum stress component: 3.447175406004824e-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([[3.0768030369072807, -8.288750466876603e-18, -4.727230997911127e-37], [-1.5384015184536404, 2.6645895924028142, -2.103264835785019e-37], [-3.4434825888219105e-37, 1.1503150279066641e-36, 5.016628163401017]])
forces =  [[ 7.90094280e-34 -2.12847370e-51 -1.28822325e-33]
 [ 7.90094280e-34 -2.12847370e-51  1.28822325e-33]]
stress =  [-3.44717541e-10 -3.44717541e-10 -1.52836382e-10 -1.92104254e-34
 -2.13088055e-46  7.44350321e-26]
energy per atom =  -1.6352404321509084
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0