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 15:01:17       -3.270084         0.028852
BFGS:    1 15:01:17       -3.270110         0.027889
BFGS:    2 15:01:17       -3.270471         0.004423
BFGS:    3 15:01:17       -3.270472         0.004723
BFGS:    4 15:01:17       -3.270473         0.004834
BFGS:    5 15:01:17       -3.270475         0.004500
BFGS:    6 15:01:17       -3.270478         0.003220
BFGS:    7 15:01:17       -3.270480         0.001243
BFGS:    8 15:01:17       -3.270481         0.000418
BFGS:    9 15:01:17       -3.270481         0.000052
BFGS:   10 15:01:17       -3.270481         0.000008
BFGS:   11 15:01:17       -3.270481         0.000000
BFGS:   12 15:01:17       -3.270481         0.000000
Minimization converged after 12 steps.
Maximum force component: 7.900942802348423e-34 eV/Angstrom
Maximum stress component: 3.4471749854879336e-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, -4.661295897862316e-18, -1.0317439561393516e-38], [-1.5384015184536404, 2.6645895924028147, -3.415016889408121e-37], [1.6498288170855467e-37, 1.0254802737497272e-36, 5.016628163401017]])
forces =  [[-7.90094280e-34  1.19697725e-51  2.64942211e-72]
 [ 7.90094280e-34 -1.19697725e-51 -2.64942211e-72]]
stress =  [-3.44717499e-10 -3.44717499e-10 -1.52836353e-10 -2.88156382e-35
 -3.32734329e-35  2.70934978e-26]
energy per atom =  -1.6352404321509086
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0