element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
Sim_LAMMPS_MEAM_Wagner_2007_SiC__SM_264944083668_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:32:18      -48.736878         1.397382
BFGS:    1 15:32:18      -48.818259         1.320576
BFGS:    2 15:32:18      -49.002206         1.133258
BFGS:    3 15:32:18      -49.158589         0.952998
BFGS:    4 15:32:18      -49.288448         0.779588
BFGS:    5 15:32:18      -49.392797         0.612823
BFGS:    6 15:32:18      -49.472618         0.452505
BFGS:    7 15:32:18      -49.528862         0.298441
BFGS:    8 15:32:18      -49.562453         0.150443
BFGS:    9 15:32:18      -49.574289         0.008328
BFGS:   10 15:32:18      -49.574326         0.000179
BFGS:   11 15:32:18      -49.574326         0.000000
BFGS:   12 15:32:18      -49.574326         0.000000
Minimization converged after 12 steps.
Maximum force component: 9.10395903187946e-30 eV/Angstrom
Maximum stress component: 2.1187728441863744e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 4.42238449e-34 5.00000000e-01]
 [7.50000000e-01 7.51805364e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 5.52798062e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [4.30186545e-36 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 4.42238449e-33 7.50000000e-01]
 [5.00000000e-01 3.75902682e-33 2.50000000e-01]]
cellpar =  Cell([[6.967933060356352, 1.9904344613197538e-32, 3.6469879000019536e-32], [1.5464167590393363e-32, 6.967933060356352, 7.78400691585808e-18], [-3.5753898820588487e-32, 7.784006915858043e-18, 6.967933060356352]])
forces =  [[ 2.86288020e-31 -8.58864060e-32  7.15720050e-33]
 [-8.01606456e-31 -2.86288020e-32 -8.58864060e-32]
 [-2.86288020e-32 -6.06930602e-30 -8.58864060e-32]
 [-6.44148045e-32  4.69512353e-30 -2.86288020e-32]
 [-8.58864060e-32 -1.43144010e-32  3.66448665e-30]
 [-2.86288020e-32 -8.58864060e-32 -4.12254749e-30]
 [-2.86288020e-32  9.04670143e-30  1.01062375e-47]
 [-2.01679966e-62 -9.10395903e-30 -7.15720050e-33]
 [-9.16121664e-31  1.43144010e-32 -2.86288020e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.11536397e-62  4.60537406e-48  4.12254749e-30]
 [-7.15720050e-33 -1.43144010e-31 -3.03465301e-30]]
stress =  [-2.11877284e-13 -2.11877284e-13 -2.11877284e-13  1.02315455e-30
 -3.38494219e-34  3.54216701e-52]
energy per atom =  -4.131193828680998
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0