element(s):
['Sn']
AFLOW prototype label:
A_tI2_139_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['4.0868', '0.85281883']
Parameter values for parameter set 1:
['3.4699', '1.4037869']
model name:
MEAM_LAMMPS_VellaChenStillinger_2017_Sn__MO_316045643888_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sn']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[4.0868, 0, 0], [0, 4.0868, 0], [0, 0, 3.4853]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:10:42       -6.057757        0.8283
BFGS:    1 17:10:42       -6.079021        0.6748
BFGS:    2 17:10:42       -6.111187        0.3587
BFGS:    3 17:10:42       -6.113042        0.2369
BFGS:    4 17:10:42       -6.114712        0.1886
BFGS:    5 17:10:42       -6.124795        0.2463
BFGS:    6 17:10:42       -6.134397        0.2866
BFGS:    7 17:10:42       -6.142931        0.2688
BFGS:    8 17:10:42       -6.148478        0.1680
BFGS:    9 17:10:42       -6.149930        0.0765
BFGS:   10 17:10:42       -6.150380        0.0093
BFGS:   11 17:10:42       -6.150392        0.0005
BFGS:   12 17:10:42       -6.150392        0.0000
BFGS:   13 17:10:42       -6.150392        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1502315523224573e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sn', 'Sn']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.7914823900433072, 1.6395379550642037e-34, -8.307995324152045e-33], [1.2385471748272143e-34, 3.7914823900433086, -1.3500554754619783e-17], [-1.341204772334036e-33, -9.763924316162196e-18, 3.791482392559958]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.79380087e-11  1.79380087e-11  1.15023155e-10  8.39545683e-27
 -3.43430481e-44 -2.83505890e-60]
energy per atom =  -3.0751959718689874
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sn']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[3.4699, 0, 0], [0, 3.4699, 0], [0, 0, 4.871]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:10:44       -6.073100        0.7242
BFGS:    1 17:10:44       -6.093001        0.5621
BFGS:    2 17:10:44       -6.119403        0.0926
BFGS:    3 17:10:44       -6.120014        0.0116
BFGS:    4 17:10:44       -6.120020        0.0027
BFGS:    5 17:10:44       -6.120020        0.0025
BFGS:    6 17:10:44       -6.120025        0.0063
BFGS:    7 17:10:44       -6.120036        0.0146
BFGS:    8 17:10:44       -6.120075        0.0573
BFGS:    9 17:10:44       -6.120132        0.0518
BFGS:   10 17:10:44       -6.120738        0.0335
BFGS:   11 17:10:44       -6.120833        0.0105
BFGS:   12 17:10:44       -6.120873        0.0067
BFGS:   13 17:10:44       -6.120876        0.0003
BFGS:   14 17:10:44       -6.120876        0.0000
BFGS:   15 17:10:44       -6.120876        0.0000
BFGS:   16 17:10:44       -6.120876        0.0000
BFGS:   17 17:10:44       -6.120876        0.0000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3548169961299088e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sn', 'Sn']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.492511303461431, -3.038087879456248e-35, -1.1442598993891888e-32], [-2.9162640702617016e-35, 3.4925113034614315, 1.3379526201802596e-17], [2.665373585919449e-33, 4.620237620797419e-16, 4.51241549670034]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.35481700e-11  1.35481700e-11  1.05640759e-11 -7.12806740e-27
  3.91060149e-34 -2.00941260e-49]
energy per atom =  -3.060438222763136
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tI2_139_a, while relaxed is A_cI2_229_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.
Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 1