element(s):
['Li']
AFLOW prototype label:
A_cI16_220_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.8469', '0.24794728']
model name:
Sim_LAMMPS_ReaxFF_IslamOstadhosseinBorodin_2015_LiS__SM_058492438145_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li']
representative atom coordinates =  [[0.24794728 0.24794728 0.24794728]]
spacegroup =  220
cell =  [[6.8469, 0, 0], [0, 6.8469, 0], [0, 0, 6.8469]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:41:37      -26.151577        0.0386
BFGS:    1 17:41:37      -26.151772        0.0383
BFGS:    2 17:41:37      -26.159612        0.0132
BFGS:    3 17:41:37      -26.159625        0.0126
BFGS:    4 17:41:37      -26.159662        0.0113
BFGS:    5 17:41:37      -26.159739        0.0088
BFGS:    6 17:41:37      -26.159885        0.0053
BFGS:    7 17:41:37      -26.160057        0.0038
BFGS:    8 17:41:37      -26.160157        0.0014
BFGS:    9 17:41:37      -26.160178        0.0006
BFGS:   10 17:41:37      -26.160179        0.0001
BFGS:   11 17:41:37      -26.160179        0.0000
BFGS:   12 17:41:37      -26.160179        0.0000
BFGS:   13 17:41:37      -26.160179        0.0000
Minimization converged after 13 steps.
Maximum force component: 6.732935961513596e-10 eV/Angstrom
Maximum stress component: 1.8389528521081372e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.02487584e-10 5.00000000e-01 1.00000000e+00]
 [1.00000000e+00 1.02487486e-10 5.00000000e-01]
 [5.00000000e-01 1.00000000e+00 1.02487620e-10]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [1.00000000e+00 1.00000000e+00 1.00000000e+00]
 [5.00000000e-01 1.02487490e-10 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.02487620e-10]
 [1.02487584e-10 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[6.876375536952899, -7.501987604489069e-33, -1.802357395452414e-32], [3.1081786959376513e-32, 6.8763755369528985, -5.431971771123986e-18], [-6.223449027226863e-33, -5.431971771123998e-18, 6.876375536952899]])
forces =  [[ 6.73293596e-10  6.73293596e-10  6.73293596e-10]
 [-6.73293596e-10 -6.73293596e-10  6.73293596e-10]
 [-6.73293596e-10  6.73293596e-10 -6.73293596e-10]
 [ 6.73293596e-10 -6.73293596e-10 -6.73293596e-10]
 [ 6.73293596e-10  6.73293596e-10  6.73293596e-10]
 [-6.73293596e-10 -6.73293596e-10  6.73293596e-10]
 [ 6.73293596e-10 -6.73293596e-10 -6.73293596e-10]
 [-6.73293596e-10  6.73293596e-10 -6.73293596e-10]
 [ 6.73293596e-10  6.73293596e-10  6.73293596e-10]
 [-6.73293596e-10 -6.73293596e-10  6.73293596e-10]
 [-6.73293596e-10  6.73293596e-10 -6.73293596e-10]
 [ 6.73293596e-10 -6.73293596e-10 -6.73293596e-10]
 [ 6.73293596e-10  6.73293596e-10  6.73293596e-10]
 [-6.73293596e-10 -6.73293596e-10  6.73293596e-10]
 [ 6.73293596e-10 -6.73293596e-10 -6.73293596e-10]
 [-6.73293596e-10  6.73293596e-10 -6.73293596e-10]]
stress =  [-1.83895285e-10 -1.83895285e-10 -1.83895285e-10  7.55054384e-26
 -2.71537649e-35  1.04358975e-50]
energy per atom =  -1.6350111815037718
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_cI16_220_c, while relaxed is A_cI2_229_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.