element(s):
['Sn']
AFLOW prototype label:
A_tI4_141_a
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:
['6.0296', '0.5410475']
model name:
Sim_LAMMPS_MEAM_VellaChenStillinger_2017_Sn__SM_629915663723_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sn']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[6.0296, 0, 0], [0, 6.0296, 0], [0, 0, 3.2623]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:27:49      -12.208481         1.110934
BFGS:    1 16:27:49      -12.249457         1.028221
BFGS:    2 16:27:49      -12.353784         0.740569
BFGS:    3 16:27:49      -12.417640         0.408424
BFGS:    4 16:27:49      -12.437480         0.269997
BFGS:    5 16:27:49      -12.438557         0.237818
BFGS:    6 16:27:49      -12.443396         0.129927
BFGS:    7 16:27:49      -12.450035         0.157988
BFGS:    8 16:27:49      -12.456375         0.119022
BFGS:    9 16:27:49      -12.459800         0.027635
BFGS:   10 16:27:49      -12.459924         0.002831
BFGS:   11 16:27:49      -12.459926         0.001265
BFGS:   12 16:27:49      -12.459926         0.000090
BFGS:   13 16:27:49      -12.459926         0.000033
BFGS:   14 16:27:49      -12.459926         0.000002
BFGS:   15 16:27:49      -12.459926         0.000000
BFGS:   16 16:27:49      -12.459926         0.000000
Minimization converged after 16 steps.
Maximum force component: 7.003893457066118e-32 eV/Angstrom
Maximum stress component: 1.0489240668975005e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sn', 'Sn', 'Sn', 'Sn']
basis =  [[0.00000000e+00 9.10309366e-33 4.57107839e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 1.01681670e-33 7.50000000e-01]]
cellpar =  Cell([[5.682233436662037, 5.990075797104811e-36, -2.082326139550915e-36], [9.380244039266173e-37, 5.682233436662038, -7.634223942195303e-18], [-2.083960708359068e-36, -3.77115142373291e-18, 3.333887355655737]])
forces =  [[ 3.50194673e-32  3.50194673e-32  6.42083349e-33]
 [-1.86244212e-68 -3.50194673e-32  2.05466672e-32]
 [-7.00389346e-32 -3.50194673e-32 -2.05466672e-32]
 [-3.50194673e-32 -3.50194673e-32 -1.54100004e-32]]
stress =  [ 4.41234851e-12  4.41234851e-12 -1.04892407e-11  9.27119987e-28
 -2.03329545e-35  2.99458585e-51]
energy per atom =  -3.1149815183239236
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0