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_000
==== 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 09:39:26       -4.729450         0.297128
BFGS:    1 09:39:26       -4.731542         0.241036
BFGS:    2 09:39:26       -4.735378         0.060021
BFGS:    3 09:39:26       -4.735593         0.063090
BFGS:    4 09:39:26       -4.736892         0.091479
BFGS:    5 09:39:27       -4.738822         0.137065
BFGS:    6 09:39:27       -4.745075         0.205560
BFGS:    7 09:39:27       -4.743402         0.388142
BFGS:    8 09:39:27       -4.749454         0.296887
BFGS:    9 09:39:27       -4.751382         0.396756
BFGS:   10 09:39:27       -4.755256         0.177055
BFGS:   11 09:39:27       -4.757211         0.187820
BFGS:   12 09:39:27       -4.766767         0.243233
BFGS:   13 09:39:27       -4.770194         0.237347
BFGS:   14 09:39:27       -4.779485         0.220474
BFGS:   15 09:39:27       -4.790736         0.286663
BFGS:   16 09:39:27       -4.788646         0.258092
BFGS:   17 09:39:27       -4.791400         0.203081
BFGS:   18 09:39:27       -4.793301         0.296854
BFGS:   19 09:39:27       -4.794436         0.118628
BFGS:   20 09:39:27       -4.795581         0.110788
BFGS:   21 09:39:27       -4.798749         0.114245
BFGS:   22 09:39:27       -4.799678         0.109081
BFGS:   23 09:39:27       -4.802518         0.089908
BFGS:   24 09:39:27       -4.802723         0.069918
BFGS:   25 09:39:27       -4.803040         0.073918
BFGS:   26 09:39:27       -4.803547         0.063178
BFGS:   27 09:39:27       -4.803851         0.040168
BFGS:   28 09:39:27       -4.804051         0.021482
BFGS:   29 09:39:27       -4.804159         0.005829
BFGS:   30 09:39:27       -4.804192         0.003459
BFGS:   31 09:39:27       -4.804196         0.001633
BFGS:   32 09:39:28       -4.804197         0.001588
BFGS:   33 09:39:28       -4.804197         0.001551
BFGS:   34 09:39:28       -4.804197         0.001466
BFGS:   35 09:39:28       -4.804197         0.002415
BFGS:   36 09:39:28       -4.804198         0.002884
BFGS:   37 09:39:28       -4.804199         0.002014
BFGS:   38 09:39:28       -4.804199         0.000637
BFGS:   39 09:39:28       -4.804199         0.000060
BFGS:   40 09:39:28       -4.804199         0.000003
BFGS:   41 09:39:28       -4.804199         0.000001
BFGS:   42 09:39:28       -4.804199         0.000000
BFGS:   43 09:39:28       -4.804199         0.000000
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.