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 15:01:21      -74.147907         0.153520
BFGS:    1 15:01:21      -74.148800         0.117959
BFGS:    2 15:01:21      -74.150082         0.000696
BFGS:    3 15:01:21      -74.150082         0.000003
BFGS:    4 15:01:21      -74.150082         0.000000
Minimization converged after 4 steps.
Maximum force component: 2.642383608586344e-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 =  [[3.91605717e-33 0.00000000e+00 1.49866618e-33]
 [1.34815110e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.04022545e-33]
 [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, -8.105473146685577e-35, -1.4431150220092942e-37], [1.7887956624525362e-34, 11.484408574140732, -1.771581049694008e-24], [3.218902565682679e-35, -1.77158104965907e-24, 11.484408574140732]])
forces =  [[-4.25774703e-32  1.18332190e-31  2.06436219e-32]
 [ 1.36763995e-31 -2.35927108e-32  8.92099377e-32]
 [-6.78290435e-32  3.02281607e-31 -2.06436219e-32]
 [ 4.12872439e-32  1.33814907e-31  8.66294849e-32]
 [-5.89817770e-32 -1.53352620e-31 -7.37272212e-32]
 [-1.25336276e-31 -9.43708432e-32 -3.53890662e-32]
 [ 3.83381550e-32 -5.16090549e-32 -1.09116287e-31]
 [-8.25744878e-32 -7.18840407e-32 -4.71854216e-32]
 [-6.42901369e-31  1.27400638e-30 -2.35927108e-31]
 [-7.07781324e-31 -2.21771481e-30  1.33962361e-30]
 [ 2.35927108e-31  1.41556265e-31 -3.77483373e-31]
 [-4.71854216e-32  1.36395359e-31 -2.35927108e-31]
 [ 1.79304602e-30  1.32119180e-30  1.98178771e-30]
 [-1.41556265e-31  4.60057860e-31 -2.35927108e-31]
 [ 9.43708432e-32 -3.77483373e-31 -6.13410481e-31]
 [-5.66225059e-31  4.71854216e-31 -9.43708432e-32]
 [ 1.60430433e-30  2.32756837e-30  2.31208566e-30]
 [ 1.23861732e-31  6.13410481e-31  3.30297951e-31]
 [-3.42094306e-31  6.60595902e-31 -9.90893853e-31]
 [ 4.48261505e-31  9.43708432e-32 -4.24668794e-31]
 [-7.07781324e-31  1.27400638e-30 -3.70110651e-31]
 [-1.03807927e-30 -3.77483373e-31  1.50993349e-30]
 [ 1.86161234e-31 -1.74586060e-30 -2.64238361e-30]
 [-7.54966745e-31  5.30835993e-31 -3.30297951e-31]]
stress =  [-1.15532090e-12 -1.15532090e-12 -1.15532090e-12  8.53484210e-29
  5.69888817e-65  1.22715941e-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