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 17:21:55       -6.057757         0.828273
BFGS:    1 17:21:55       -6.079021         0.674792
BFGS:    2 17:21:55       -6.111187         0.358695
BFGS:    3 17:21:55       -6.113042         0.236949
BFGS:    4 17:21:55       -6.114712         0.188574
BFGS:    5 17:21:55       -6.124795         0.246301
BFGS:    6 17:21:55       -6.134397         0.286556
BFGS:    7 17:21:55       -6.142931         0.268838
BFGS:    8 17:21:55       -6.148478         0.168034
BFGS:    9 17:21:55       -6.149930         0.076493
BFGS:   10 17:21:55       -6.150380         0.009285
BFGS:   11 17:21:55       -6.150392         0.000467
BFGS:   12 17:21:55       -6.150392         0.000014
BFGS:   13 17:21:55       -6.150392         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1502305693287642e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sn', 'Sn']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.791482390043306, 5.734427013572919e-35, -2.7130733151691834e-32], [-1.731394302856812e-36, 3.791482390043307, -4.451310152993021e-17], [-3.0057503477385995e-33, -3.7300488349008685e-17, 3.79148239255996]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.79379038e-11  1.79379038e-11  1.15023057e-10 -4.86886636e-26
 -7.69656168e-44  3.27945764e-59]
energy per atom =  -3.0751959718689865
===============================================
==== 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 17:21:57       -6.073100         0.724216
BFGS:    1 17:21:57       -6.093001         0.562081
BFGS:    2 17:21:57       -6.119403         0.092564
BFGS:    3 17:21:57       -6.120014         0.011648
BFGS:    4 17:21:57       -6.120020         0.002725
BFGS:    5 17:21:57       -6.120020         0.002501
BFGS:    6 17:21:57       -6.120025         0.006328
BFGS:    7 17:21:57       -6.120036         0.014583
BFGS:    8 17:21:57       -6.120075         0.057321
BFGS:    9 17:21:57       -6.120132         0.051789
BFGS:   10 17:21:57       -6.120738         0.033478
BFGS:   11 17:21:57       -6.120833         0.010471
BFGS:   12 17:21:57       -6.120873         0.006658
BFGS:   13 17:21:57       -6.120876         0.000339
BFGS:   14 17:21:57       -6.120876         0.000006
BFGS:   15 17:21:57       -6.120876         0.000002
BFGS:   16 17:21:57       -6.120876         0.000000
BFGS:   17 17:21:57       -6.120876         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3548171048637248e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sn', 'Sn']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.4925113034614284, 4.6203807572627606e-36, 1.7345209090516438e-33], [4.616669105613829e-36, 3.4925113034614297, -4.103932813643707e-17], [-1.3672917967604663e-32, 3.9068655868452994e-16, 4.512415496700345]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.35481710e-11  1.35481710e-11  1.05640901e-11  2.18662203e-27
 -1.23832585e-44 -4.06781748e-61]
energy per atom =  -3.060438222763138
===============================================
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