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_001
==== 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 20:04:34       -6.057757         0.828273
BFGS:    1 20:04:34       -6.079021         0.674792
BFGS:    2 20:04:34       -6.111187         0.358695
BFGS:    3 20:04:34       -6.113042         0.236949
BFGS:    4 20:04:34       -6.114712         0.188574
BFGS:    5 20:04:34       -6.124795         0.246301
BFGS:    6 20:04:34       -6.134397         0.286556
BFGS:    7 20:04:34       -6.142931         0.268838
BFGS:    8 20:04:34       -6.148478         0.168034
BFGS:    9 20:04:34       -6.149930         0.076493
BFGS:   10 20:04:35       -6.150380         0.009285
BFGS:   11 20:04:35       -6.150392         0.000467
BFGS:   12 20:04:35       -6.150392         0.000014
BFGS:   13 20:04:35       -6.150392         0.000000
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 20:04:44       -6.073100         0.724216
BFGS:    1 20:04:44       -6.093001         0.562081
BFGS:    2 20:04:44       -6.119403         0.092564
BFGS:    3 20:04:44       -6.120014         0.011648
BFGS:    4 20:04:44       -6.120020         0.002725
BFGS:    5 20:04:45       -6.120020         0.002501
BFGS:    6 20:04:45       -6.120025         0.006328
BFGS:    7 20:04:45       -6.120036         0.014583
BFGS:    8 20:04:45       -6.120075         0.057321
BFGS:    9 20:04:45       -6.120132         0.051789
BFGS:   10 20:04:45       -6.120738         0.033478
BFGS:   11 20:04:45       -6.120833         0.010471
BFGS:   12 20:04:45       -6.120873         0.006658
BFGS:   13 20:04:45       -6.120876         0.000339
BFGS:   14 20:04:45       -6.120876         0.000006
BFGS:   15 20:04:45       -6.120876         0.000002
BFGS:   16 20:04:45       -6.120876         0.000000
BFGS:   17 20:04:45       -6.120876         0.000000
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