element(s):
['Si']
AFLOW prototype label:
A_hR8_148_cf
Parameter names:
['a', 'c/a', 'x1', 'x2', 'y2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.4412577', '0.59921929', '0.28578699', '0.47802387', '0.97998916', '0.28193827']
model name:
MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si', 'Si']
representative atom coordinates =  [[0.         0.         0.28578699]
 [0.73333873 0.76862656 0.24665043]]
spacegroup =  148
cell =  [[9.4413, 0, 0], [-4.72065, 8.17640564475, 0], [0, 0, 5.6574]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:06:57      -84.187357        4.7048
BFGS:    1 16:06:57      -89.076151        4.1293
BFGS:    2 16:06:57      -93.130109        2.7137
BFGS:    3 16:06:57      -95.228710        1.4785
BFGS:    4 16:06:57      -96.027171        1.2416
BFGS:    5 16:06:57      -96.401741        0.6479
BFGS:    6 16:06:57      -96.470921        0.3265
BFGS:    7 16:06:57      -96.498653        0.2549
BFGS:    8 16:06:57      -96.520058        0.2875
BFGS:    9 16:06:57      -96.590943        0.3890
BFGS:   10 16:06:57      -96.676795        0.3803
BFGS:   11 16:06:57      -96.740086        0.2863
BFGS:   12 16:06:57      -96.751518        0.3011
BFGS:   13 16:06:57      -96.765810        0.2948
BFGS:   14 16:06:57      -96.778407        0.2780
BFGS:   15 16:06:57      -96.806511        0.2864
BFGS:   16 16:06:57      -96.839093        0.3102
BFGS:   17 16:06:57      -96.867072        0.2375
BFGS:   18 16:06:57      -96.882378        0.0805
BFGS:   19 16:06:57      -96.884853        0.0786
BFGS:   20 16:06:57      -96.887122        0.0831
BFGS:   21 16:06:57      -96.888670        0.0755
BFGS:   22 16:06:57      -96.893383        0.0746
BFGS:   23 16:06:57      -96.897076        0.0577
BFGS:   24 16:06:58      -96.898574        0.0194
BFGS:   25 16:06:58      -96.898742        0.0171
BFGS:   26 16:06:58      -96.898760        0.0175
BFGS:   27 16:06:58      -96.898769        0.0171
BFGS:   28 16:06:58      -96.898798        0.0151
BFGS:   29 16:06:58      -96.898845        0.0103
BFGS:   30 16:06:58      -96.898891        0.0036
BFGS:   31 16:06:58      -96.898910        0.0011
BFGS:   32 16:06:58      -96.898913        0.0003
BFGS:   33 16:06:58      -96.898913        0.0001
BFGS:   34 16:06:58      -96.898913        0.0000
BFGS:   35 16:06:58      -96.898913        0.0000
BFGS:   36 16:06:58      -96.898913        0.0000
Minimization converged after 36 steps.
Maximum force component: 5.8000270304747674e-09 eV/Angstrom
Maximum stress component: 7.759455169566409e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.10054563e-31 1.94308926e-31 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 5.83333333e-01]
 [3.33333333e-01 6.66666667e-01 9.16666667e-01]
 [1.00000000e+00 1.00000000e+00 7.50000000e-01]
 [6.66666667e-01 3.33333333e-01 8.33333335e-02]
 [3.33333333e-01 6.66666667e-01 4.16666667e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [2.50000000e-01 1.00000000e+00 2.50000000e-01]
 [8.83240819e-12 2.50000000e-01 2.50000000e-01]
 [4.16666667e-01 8.33333333e-02 5.83333333e-01]
 [9.16666667e-01 3.33333333e-01 5.83333333e-01]
 [6.66666667e-01 5.83333333e-01 5.83333333e-01]
 [8.33333333e-02 4.16666667e-01 9.16666667e-01]
 [5.83333333e-01 6.66666667e-01 9.16666667e-01]
 [3.33333333e-01 9.16666667e-01 9.16666667e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 8.83217089e-12 7.50000000e-01]
 [1.00000000e+00 7.50000000e-01 7.50000000e-01]
 [9.16666667e-01 5.83333333e-01 8.33333333e-02]
 [4.16666667e-01 3.33333333e-01 8.33333333e-02]
 [6.66666667e-01 8.33333333e-02 8.33333333e-02]
 [5.83333333e-01 9.16666667e-01 4.16666667e-01]
 [8.33333333e-02 6.66666667e-01 4.16666667e-01]
 [3.33333333e-01 4.16666667e-01 4.16666667e-01]]
cellpar =  Cell([[9.375772209246923, -5.0205907496329193e-14, 2.4691608431009493e-17], [-4.687886104623419, 8.11965691330401, 9.615301787034922e-17], [1.4732511255527972e-17, 4.757004892205567e-15, 5.7414644644557695]])
forces =  [[ 1.17117708e-26  3.78120022e-24  4.56371947e-09]
 [ 1.17096136e-26  3.78120253e-24  4.56371947e-09]
 [ 1.17101272e-26  3.78120271e-24  4.56371947e-09]
 [-1.17100758e-26 -3.78120253e-24 -4.56371947e-09]
 [-1.17100245e-26 -3.78120253e-24 -4.56371947e-09]
 [-1.17098190e-26 -3.78120360e-24 -4.56371947e-09]
 [-4.41489686e-09 -3.95322838e-09 -2.10716780e-09]
 [ 5.63104464e-09 -1.84679865e-09 -2.10716780e-09]
 [-1.21614778e-09  5.80002703e-09 -2.10716780e-09]
 [-4.41489686e-09 -3.95322838e-09 -2.10716780e-09]
 [ 5.63104464e-09 -1.84679865e-09 -2.10716780e-09]
 [-1.21614778e-09  5.80002703e-09 -2.10716780e-09]
 [-4.41489686e-09 -3.95322838e-09 -2.10716780e-09]
 [ 5.63104464e-09 -1.84679865e-09 -2.10716780e-09]
 [-1.21614778e-09  5.80002703e-09 -2.10716780e-09]
 [ 4.41489686e-09  3.95322838e-09  2.10716780e-09]
 [-5.63104464e-09  1.84679865e-09  2.10716780e-09]
 [ 1.21614778e-09 -5.80002703e-09  2.10716780e-09]
 [ 4.41489686e-09  3.95322838e-09  2.10716780e-09]
 [-5.63104464e-09  1.84679865e-09  2.10716780e-09]
 [ 1.21614778e-09 -5.80002703e-09  2.10716780e-09]
 [ 4.41489686e-09  3.95322838e-09  2.10716780e-09]
 [-5.63104464e-09  1.84679865e-09  2.10716780e-09]
 [ 1.21614778e-09 -5.80002703e-09  2.10716780e-09]]
stress =  [-7.75945517e-11 -7.75945517e-11  6.27556612e-11  9.67384482e-26
  1.15648675e-26 -1.31850679e-26]
energy per atom =  -4.037454706167755
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_hR8_148_cf, while relaxed is A_cI16_230_b. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.