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 11:42:48      -53.915594        12.648532
BFGS:    1 11:42:48      -55.506701        10.921128
BFGS:    2 11:42:48      -56.903884         9.643834
BFGS:    3 11:42:48      -57.764731         6.491525
BFGS:    4 11:42:48      -58.405787         4.086602
BFGS:    5 11:42:49      -58.497050         1.947701
BFGS:    6 11:42:49      -58.529623         0.854508
BFGS:    7 11:42:49      -58.553074         1.469366
BFGS:    8 11:42:49      -58.666644         1.792865
BFGS:    9 11:42:49      -58.909845         3.298457
BFGS:   10 11:42:49      -59.197036         4.032318
BFGS:   11 11:42:49      -59.573095         4.928226
BFGS:   12 11:42:49      -60.099623         6.379040
BFGS:   13 11:42:49      -60.750001         8.170977
BFGS:   14 11:42:49      -61.543261        10.365288
BFGS:   15 11:42:49      -62.108506        13.005881
BFGS:   16 11:42:49      -63.069444        13.854286
BFGS:   17 11:42:49      -64.139698        14.975241
BFGS:   18 11:42:49      -65.335245        16.297205
BFGS:   19 11:42:49      -66.661725        17.518152
BFGS:   20 11:42:49      -68.118392        18.634766
BFGS:   21 11:42:49      -69.680782        19.332278
BFGS:   22 11:42:49      -71.296988        19.275555
BFGS:   23 11:42:49      -72.855917        17.561890
BFGS:   24 11:42:49      -74.175333        13.209404
BFGS:   25 11:42:49      -74.966346         4.667492
BFGS:   26 11:42:49      -75.022283         3.010404
BFGS:   27 11:42:49      -75.043777         0.208465
BFGS:   28 11:42:49      -75.044060         0.046401
BFGS:   29 11:42:49      -75.044076         0.037915
BFGS:   30 11:42:49      -75.044080         0.007590
BFGS:   31 11:42:49      -75.044080         0.001035
BFGS:   32 11:42:49      -75.044080         0.000044
BFGS:   33 11:42:49      -75.044080         0.000004
BFGS:   34 11:42:49      -75.044080         0.000000
BFGS:   35 11:42:49      -75.044080         0.000000
Minimization converged after 35 steps.
Maximum force component: 5.798142613548576e-10 eV/Angstrom
Maximum stress component: 1.0533060664712644e-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([[3.105587575607115, -6.3719277507705e-18, 6.080591670056853e-36], [-1.5527937878035576, 2.689517734153088, 3.568896952557632e-35], [1.756766016747062e-35, 2.4027882384600661e-35, 3.6081610415621492]])
forces =  [[ 6.53300434e-30  3.84772834e-45  5.79809227e-10]
 [-8.16625542e-31  1.41443693e-30  5.79809227e-10]
 [ 8.16625542e-31 -1.41443693e-30 -5.79814261e-10]
 [-6.53300434e-30 -3.84776187e-45 -5.79814261e-10]]
stress =  [-1.24066293e-11 -1.24066293e-11  1.05330607e-10 -5.92743657e-33
 -1.46666019e-33  4.47487708e-27]
energy per atom =  -18.761019937519848
===============================================
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.