element(s):
['Se']
AFLOW prototype label:
A_hR1_166_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0544605', '1.1720264']
model name:
Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Se']
representative atom coordinates =  [[0 0 0]]
spacegroup =  166
cell =  [[4.0545, 0, 0], [-2.02725, 3.511299999644, 0], [0, 0, 4.7519]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:45:22      -12.066190         8.965976
BFGS:    1 16:45:22      -12.594072         9.731092
BFGS:    2 16:45:22      -12.964557         4.662228
BFGS:    3 16:45:22      -13.010042         3.767534
BFGS:    4 16:45:22      -13.060006         3.066005
BFGS:    5 16:45:22      -13.097504         2.625688
BFGS:    6 16:45:22      -13.113601         1.012895
BFGS:    7 16:45:22      -13.116916         0.151496
BFGS:    8 16:45:22      -13.117061         0.013544
BFGS:    9 16:45:22      -13.117062         0.000308
BFGS:   10 16:45:22      -13.117062         0.000003
BFGS:   11 16:45:22      -13.117062         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.623472837224984e-31 eV/Angstrom
Maximum stress component: 4.126716003370482e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se', 'Se', 'Se']
basis =  [[0.00000000e+00 1.71193773e-33 1.36955018e-32]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]]
cellpar =  Cell([[4.057992638280683, 9.137615182707153e-18, 1.9212989478808524e-17], [-2.0289963191403415, 3.5143247131213067, 3.794003914373762e-17], [2.234732166883692e-17, 6.655876682495733e-16, 4.970005672079239]])
forces =  [[-4.44609965e-32 -7.70087048e-32  1.90586821e-31]
 [-2.22304982e-32 -7.70087048e-32  7.62347284e-31]
 [-4.44609965e-32 -7.70087048e-32  2.17813510e-31]]
stress =  [-4.08284374e-10 -4.08284374e-10  4.12671600e-10  1.84720832e-25
  4.68642815e-26 -2.77652020e-25]
energy per atom =  -4.372354041079576
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_hR1_166_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.