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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:23:29      -15.045085       11.6725
BFGS:    1 16:23:29      -16.796141       12.4233
BFGS:    2 16:23:29      -18.613502       12.7482
BFGS:    3 16:23:29      -20.414659       12.2422
BFGS:    4 16:23:29      -22.068322       10.4501
BFGS:    5 16:23:29      -23.334313        6.8907
BFGS:    6 16:23:29      -24.020008        3.0887
BFGS:    7 16:23:29      -24.347213        4.0343
BFGS:    8 16:23:29      -24.673725        5.3574
BFGS:    9 16:23:29      -24.998811        7.7797
BFGS:   10 16:23:29      -25.306763        9.5999
BFGS:   11 16:23:29      -25.579480       12.7980
BFGS:   12 16:23:29      -25.827287       14.8541
BFGS:   13 16:23:29      -26.029276       17.1963
BFGS:   14 16:23:29      -26.217240       20.0298
BFGS:   15 16:23:29      -26.658613       12.2799
BFGS:   16 16:23:29      -27.162569        4.1503
BFGS:   17 16:23:29      -27.298244        0.7516
BFGS:   18 16:23:29      -27.302323        0.2743
BFGS:   19 16:23:29      -27.303007        0.1001
BFGS:   20 16:23:29      -27.303053        0.0157
BFGS:   21 16:23:29      -27.303057        0.0029
BFGS:   22 16:23:29      -27.303057        0.0019
BFGS:   23 16:23:29      -27.303057        0.0003
BFGS:   24 16:23:29      -27.303057        0.0000
BFGS:   25 16:23:29      -27.303057        0.0000
BFGS:   26 16:23:29      -27.303057        0.0000
BFGS:   27 16:23:29      -27.303057        0.0000
BFGS:   28 16:23:29      -27.303057        0.0000
BFGS:   29 16:23:29      -27.303057        0.0000
Minimization converged after 29 steps.
Maximum force component: 4.702881263671937e-10 eV/Angstrom
Maximum stress component: 1.2779711878560932e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Bi', 'Bi']
basis =  [[0.75 0.   0.25]
 [0.25 0.   0.75]]
cellpar =  Cell([[2.8589009523704907, 3.754251444061186e-18, -0.006841206126965141], [5.008288297817749e-18, 2.7984395977213135, -4.814950272598066e-17], [0.011849316620593657, -9.102468018345262e-17, 4.95176170329301]])
forces =  [[-4.70288126e-10 -5.83401421e-27  2.84853998e-10]
 [ 4.70288126e-10  5.83401421e-27 -2.84853998e-10]]
stress =  [-6.68413699e-11 -1.27797119e-10 -1.04292468e-10  4.50053514e-26
  2.23253869e-11  1.76434863e-27]
energy per atom =  -13.65152869351839
===============================================
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_hP1_191_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.