element(s):
['Li']
AFLOW prototype label:
A_hR3_166_ac
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0652442', '7.313745', '0.77781729']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li', 'Li']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.77781729]]
spacegroup =  166
cell =  [[3.0652, 0, 0], [-1.5326, 2.6545410676801, 0], [0, 0, 22.4184]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:04:22      -11.870462         2.180303
BFGS:    1 13:04:22      -12.060350         2.088706
BFGS:    2 13:04:22      -12.349279         1.946373
BFGS:    3 13:04:22      -12.619181         1.809604
BFGS:    4 13:04:22      -12.870740         1.678143
BFGS:    5 13:04:22      -13.104595         1.551755
BFGS:    6 13:04:22      -13.321343         1.430233
BFGS:    7 13:04:22      -13.522688         1.348420
BFGS:    8 13:04:22      -13.708044         1.229617
BFGS:    9 13:04:22      -13.877783         1.116158
BFGS:   10 13:04:22      -14.032425         1.007772
BFGS:   11 13:04:22      -14.172479         0.904216
BFGS:   12 13:04:22      -14.298442         0.806208
BFGS:   13 13:04:22      -14.410803         0.716627
BFGS:   14 13:04:22      -14.510046         0.630186
BFGS:   15 13:04:23      -14.596645         0.546840
BFGS:   16 13:04:23      -14.671070         0.466548
BFGS:   17 13:04:23      -14.733786         0.389272
BFGS:   18 13:04:23      -14.785248         0.314971
BFGS:   19 13:04:23      -14.825906         0.243599
BFGS:   20 13:04:23      -14.856201         0.175107
BFGS:   21 13:04:23      -14.876560         0.109428
BFGS:   22 13:04:23      -14.887397         0.046468
BFGS:   23 13:04:23      -14.889523         0.007729
BFGS:   24 13:04:23      -14.889528         0.009183
BFGS:   25 13:04:23      -14.889532         0.009563
BFGS:   26 13:04:23      -14.889545         0.009927
BFGS:   27 13:04:23      -14.889560         0.008942
BFGS:   28 13:04:23      -14.889575         0.006370
BFGS:   29 13:04:24      -14.889583         0.005456
BFGS:   30 13:04:24      -14.889588         0.005091
BFGS:   31 13:04:24      -14.889595         0.003923
BFGS:   32 13:04:24      -14.889603         0.002562
BFGS:   33 13:04:24      -14.889609         0.001331
BFGS:   34 13:04:24      -14.889611         0.000358
BFGS:   35 13:04:24      -14.889611         0.000070
BFGS:   36 13:04:24      -14.889611         0.000006
BFGS:   37 13:04:24      -14.889611         0.000000
BFGS:   38 13:04:24      -14.889611         0.000000
BFGS:   39 13:04:24      -14.889611         0.000000
Minimization converged after 39 steps.
Maximum force component: 1.005391640022021e-09 eV/Angstrom
Maximum stress component: 1.021545666762263e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li']
basis =  [[7.06174313e-33 0.00000000e+00 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [1.12690939e-16 5.29798951e-31 7.77856230e-01]
 [3.21900509e-17 4.30461648e-31 2.22143770e-01]
 [6.66666667e-01 3.33333333e-01 1.11189563e-01]
 [6.66666667e-01 3.33333333e-01 5.55477104e-01]
 [3.33333333e-01 6.66666667e-01 4.44522896e-01]
 [3.33333333e-01 6.66666667e-01 8.88810437e-01]]
cellpar =  Cell([[3.4386557748438764, 1.1629492128687537e-16, -6.201523533775854e-16], [-1.7193278874219386, 2.97796325588486, 6.236531189598467e-16], [-5.0452912356391416e-15, 2.6549000417837405e-15, 25.167387732705098]])
forces =  [[-2.35470582e-33 -2.03923506e-33  6.89360009e-32]
 [ 5.29808810e-33 -4.07847012e-33 -1.37872002e-31]
 [-2.35470582e-33 -2.03923506e-33  1.37872002e-31]
 [-2.01550254e-25  1.06058454e-25  1.00539164e-09]
 [ 2.01550262e-25 -1.06058463e-25 -1.00539164e-09]
 [-2.01550252e-25  1.06058453e-25  1.00539164e-09]
 [ 2.01550262e-25 -1.06058463e-25 -1.00539164e-09]
 [-2.01550252e-25  1.06058453e-25  1.00539164e-09]
 [ 2.01550262e-25 -1.06058461e-25 -1.00539164e-09]]
stress =  [-1.02154567e-10 -1.02154567e-10  9.43173910e-11  8.44714733e-28
 -3.46897646e-27  2.70851765e-25]
energy per atom =  -1.654401234475202
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 
ERROR(@kim_property_modify): input value "alpha-Sm" doesn't meet the format specification. An integer equal to or greater than 1 or integer indices range of "start:stop".
No parameter sets in this group successfully added a property instance. Skipping this group.