element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0918', '1.6407271', '8.9172044e-05', '0.37591083']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.50008917]
 [0.33333333 0.66666667 0.87591083]]
spacegroup =  186
cell =  [[3.0918, 0, 0], [-1.5459, 2.6775773434207, 0], [0, 0, 5.0728]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:57:35      -53.915594        12.648532
BFGS:    1 12:57:35      -55.506701        10.921128
BFGS:    2 12:57:35      -56.903884         9.643834
BFGS:    3 12:57:35      -57.764731         6.491525
BFGS:    4 12:57:35      -58.405787         4.086602
BFGS:    5 12:57:35      -58.497050         1.947701
BFGS:    6 12:57:35      -58.529623         0.854508
BFGS:    7 12:57:35      -58.553074         1.469366
BFGS:    8 12:57:35      -58.666644         1.792865
BFGS:    9 12:57:35      -58.909845         3.298457
BFGS:   10 12:57:35      -59.197036         4.032318
BFGS:   11 12:57:35      -59.573095         4.928226
BFGS:   12 12:57:35      -60.099623         6.379040
BFGS:   13 12:57:36      -60.750001         8.170977
BFGS:   14 12:57:36      -61.543261        10.365288
BFGS:   15 12:57:36      -62.108506        13.005881
BFGS:   16 12:57:36      -63.069444        13.854286
BFGS:   17 12:57:36      -64.139698        14.975241
BFGS:   18 12:57:36      -65.335245        16.297205
BFGS:   19 12:57:36      -66.661725        17.518152
BFGS:   20 12:57:36      -68.118392        18.634766
BFGS:   21 12:57:36      -69.680782        19.332278
BFGS:   22 12:57:36      -71.296988        19.275555
BFGS:   23 12:57:36      -72.855917        17.561890
BFGS:   24 12:57:37      -74.175333        13.209404
BFGS:   25 12:57:37      -74.966346         4.667492
BFGS:   26 12:57:37      -75.022283         3.010404
BFGS:   27 12:57:37      -75.043777         0.208465
BFGS:   28 12:57:37      -75.044060         0.046401
BFGS:   29 12:57:37      -75.044076         0.037915
BFGS:   30 12:57:37      -75.044080         0.007590
BFGS:   31 12:57:37      -75.044080         0.001035
BFGS:   32 12:57:37      -75.044080         0.000044
BFGS:   33 12:57:37      -75.044080         0.000004
BFGS:   34 12:57:37      -75.044080         0.000000
BFGS:   35 12:57:37      -75.044080         0.000000
Minimization converged after 35 steps.
Maximum force component: 5.798333593050755e-10 eV/Angstrom
Maximum stress component: 1.053336458454734e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.438     ]
 [0.66666666 0.33333334 0.938     ]
 [0.33333333 0.66666667 0.938     ]
 [0.66666666 0.33333334 0.438     ]]
cellpar =  Cell([[3.105587575607116, 1.7843859710740088e-17, 1.068556882345045e-35], [-1.552793787803558, 2.689517734153089, 3.676631513703908e-35], [1.1103778977362969e-34, -1.2886933381179249e-34, 3.6081610415621492]])
forces =  [[-8.16625542e-31  1.41443693e-30  5.79830018e-10]
 [ 6.94131711e-30 -7.07218465e-31  5.79830018e-10]
 [ 1.02078193e-29 -6.36496618e-30 -5.79833359e-10]
 [-7.75794265e-30  2.12165539e-30 -5.79833359e-10]]
stress =  [-1.23891344e-11 -1.23891344e-11  1.05333646e-10 -1.82548547e-44
 -5.58039060e-45  6.73099359e-27]
energy per atom =  -18.76101993751985
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_hP4_186_b_b, while relaxed is AB_hP4_194_c_d. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.