element(s):
['Bi']
AFLOW prototype label:
A_mP2_10_m
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.4057', '0.50979596', '0.51372996', '90.8069', '0.25038442', '0.10081186']
model name:
MEAM_LAMMPS_ZhouDickelBaskes_2021_Bi__MO_221877348962_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Bi']
representative atom coordinates =  [[0.89918814 0.         0.25038442]]
spacegroup =  10
cell =  [[3.2908, 0, 0], [0, 3.2656, 0], [0.090208886588422, 0, 6.4050647808418]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:23:56       -4.729450        0.2971
BFGS:    1 16:23:56       -4.731542        0.2410
BFGS:    2 16:23:56       -4.735378        0.0600
BFGS:    3 16:23:56       -4.735593        0.0631
BFGS:    4 16:23:56       -4.736892        0.0915
BFGS:    5 16:23:56       -4.738822        0.1371
BFGS:    6 16:23:56       -4.745075        0.2056
BFGS:    7 16:23:56       -4.743402        0.3881
BFGS:    8 16:23:56       -4.749454        0.2969
BFGS:    9 16:23:56       -4.751382        0.3968
BFGS:   10 16:23:56       -4.755256        0.1771
BFGS:   11 16:23:56       -4.757211        0.1878
BFGS:   12 16:23:56       -4.766767        0.2432
BFGS:   13 16:23:56       -4.770194        0.2373
BFGS:   14 16:23:56       -4.779485        0.2205
BFGS:   15 16:23:56       -4.790736        0.2867
BFGS:   16 16:23:56       -4.788646        0.2581
BFGS:   17 16:23:56       -4.791400        0.2031
BFGS:   18 16:23:56       -4.793301        0.2969
BFGS:   19 16:23:56       -4.794436        0.1186
BFGS:   20 16:23:56       -4.795581        0.1108
BFGS:   21 16:23:56       -4.798749        0.1142
BFGS:   22 16:23:56       -4.799678        0.1091
BFGS:   23 16:23:56       -4.802518        0.0899
BFGS:   24 16:23:56       -4.802723        0.0699
BFGS:   25 16:23:56       -4.803040        0.0739
BFGS:   26 16:23:56       -4.803547        0.0632
BFGS:   27 16:23:56       -4.803851        0.0402
BFGS:   28 16:23:56       -4.804051        0.0215
BFGS:   29 16:23:56       -4.804159        0.0058
BFGS:   30 16:23:56       -4.804192        0.0035
BFGS:   31 16:23:56       -4.804196        0.0016
BFGS:   32 16:23:56       -4.804197        0.0016
BFGS:   33 16:23:56       -4.804197        0.0016
BFGS:   34 16:23:56       -4.804197        0.0015
BFGS:   35 16:23:56       -4.804197        0.0024
BFGS:   36 16:23:56       -4.804198        0.0029
BFGS:   37 16:23:56       -4.804199        0.0020
BFGS:   38 16:23:56       -4.804199        0.0006
BFGS:   39 16:23:56       -4.804199        0.0001
BFGS:   40 16:23:56       -4.804199        0.0000
BFGS:   41 16:23:56       -4.804199        0.0000
BFGS:   42 16:23:56       -4.804199        0.0000
BFGS:   43 16:23:56       -4.804199        0.0000
Minimization converged after 43 steps.
Maximum force component: 5.197861759065337e-11 eV/Angstrom
Maximum stress component: 1.3267466312899293e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Bi', 'Bi']
basis =  [[1.70019554e-11 0.00000000e+00 2.50000000e-01]
 [1.00000000e+00 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.2672512146082497, 7.370797324391557e-18, -0.02212881481367533], [7.543100580315687e-18, 3.2673261520924317, -5.157139115468371e-18], [0.044257629374289585, -1.0949660849810467e-17, 6.534502429129091]])
forces =  [[-5.19786176e-11 -1.67498444e-28  3.00625498e-11]
 [ 5.19786176e-11  1.67498444e-28 -3.00625498e-11]]
stress =  [-9.83838497e-12 -5.69629690e-12 -1.32674663e-11  2.95138558e-27
 -2.27500726e-12  5.32417855e-28]
energy per atom =  -2.40209963850561
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_mP2_10_m, 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.