element(s):
['Nb']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2522']
model name:
Sim_LAMMPS_ADP_StarikovSmirnova_2021_ZrNb__SM_993852507257_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2522, 0, 0], [0, 4.2522, 0], [0, 0, 4.2522]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:06:25      -29.053140        1.6591
BFGS:    1 17:06:25      -29.173267        1.6939
BFGS:    2 17:06:25      -29.400114        1.1960
BFGS:    3 17:06:25      -29.484289        0.2413
BFGS:    4 17:06:25      -29.486542        0.0605
BFGS:    5 17:06:25      -29.486701        0.0004
BFGS:    6 17:06:25      -29.486701        0.0000
BFGS:    7 17:06:25      -29.486701        0.0000
BFGS:    8 17:06:25      -29.486701        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.147340670001354e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.73258345e-34]]
cellpar =  Cell([[4.127821862812648, 1.733033846344881e-32, -2.3903574628845604e-33], [4.845112437077688e-33, 4.127821862812648, 1.4631254966003585e-17], [1.7681163671340018e-33, 1.4631254966003582e-17, 4.127821862812648]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.14734067e-14  7.14734067e-14  7.14734067e-14  7.90270998e-31
 -6.02833418e-35 -9.14397138e-52]
energy per atom =  -7.371675148411374
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0