element(s):
['Se']
AFLOW prototype label:
A_cF24_227_ac
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['11.4799']
model name:
Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Se', 'Se']
representative atom coordinates =  [[0.    0.    0.   ]
 [0.125 0.125 0.125]]
spacegroup =  227
cell =  [[11.4799, 0, 0], [0, 11.4799, 0], [0, 0, 11.4799]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:09:29      -74.147907         0.153520
BFGS:    1 16:09:29      -74.148800         0.117959
BFGS:    2 16:09:30      -74.150082         0.000696
BFGS:    3 16:09:30      -74.150082         0.000003
BFGS:    4 16:09:30      -74.150082         0.000000
Minimization converged after 4 steps.
Maximum force component: 4.860098422935597e-30 eV/Angstrom
Maximum stress component: 1.1553208972405647e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se']
basis =  [[1.60494147e-33 0.00000000e+00 1.42923584e-33]
 [2.24691838e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]]
cellpar =  Cell([[11.484408574140732, -2.8620734015202362e-33, 6.513116907925649e-34], [2.8620694314956377e-33, 11.484408574140732, -1.6807412423659134e-23], [6.065138279857853e-34, -1.6807412423659143e-23, 11.484408574140732]])
forces =  [[-6.61701810e-32  4.95815563e-32 -1.47454442e-32]
 [ 1.13171285e-31 -1.47454442e-31  6.89349518e-32]
 [-1.00269021e-31  1.17963554e-31 -5.60326881e-32]
 [ 1.71047153e-31  8.66294849e-32  3.98126995e-32]
 [-1.06167199e-31 -1.88741686e-31  4.42363327e-32]
 [-9.80572042e-32 -1.88741686e-31 -1.06167199e-31]
 [-8.84726655e-32  4.57108772e-32 -5.30835993e-32]
 [-3.53890662e-32 -3.39145218e-32 -7.07781324e-32]
 [ 1.76945331e-32 -2.83112529e-31  1.03807927e-30]
 [ 2.26490024e-30 -3.91638999e-30  1.19069462e-30]
 [-3.77483373e-31  7.54966745e-31  2.35927108e-31]
 [ 5.66225059e-31  9.14586179e-31  4.24668794e-31]
 [ 7.36859076e-64  2.73675445e-30  1.03807927e-30]
 [ 4.71854216e-32 -4.06974261e-31 -1.65148976e-31]
 [-5.19039637e-31  6.13410481e-31  6.60595902e-31]
 [ 7.54966745e-31 -9.43708432e-32  5.66225059e-31]
 [ 8.02152167e-31  5.12404187e-31  9.43708432e-31]
 [ 1.65148976e-31 -2.35927108e-32 -1.29759909e-30]
 [-5.89817770e-32  4.86009842e-30 -1.41556265e-31]
 [-2.12334397e-31  7.07781324e-31  8.67032122e-31]
 [ 8.49337588e-31 -1.88741686e-31  5.80233231e-31]
 [ 3.77483373e-31  6.60595902e-31  1.22682096e-30]
 [ 5.87237317e-31 -9.90893853e-31 -2.92549614e-30]
 [ 2.83112529e-31 -9.43708432e-32  5.66225059e-31]]
stress =  [-1.15532090e-12 -1.15532090e-12 -1.15532090e-12  1.12229461e-33
  1.31343681e-62  4.66486815e-63]
energy per atom =  -3.0895867450235284
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0