element(s):
['Rb']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.6857', '3.615511']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Rb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.6857, 0, 0], [0, 4.6857, 0], [0, 0, 16.9412]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:06:10       -2.232548         0.221999
BFGS:    1 13:06:10       -2.234019         0.216163
BFGS:    2 13:06:10       -2.252142         0.130204
BFGS:    3 13:06:10       -2.261424         0.053228
BFGS:    4 13:06:10       -2.263104         0.036310
BFGS:    5 13:06:10       -2.263133         0.037132
BFGS:    6 13:06:10       -2.263193         0.035837
BFGS:    7 13:06:10       -2.263301         0.029059
BFGS:    8 13:06:10       -2.263427         0.015246
BFGS:    9 13:06:11       -2.263494         0.004180
BFGS:   10 13:06:11       -2.263507         0.001024
BFGS:   11 13:06:11       -2.263508         0.000198
BFGS:   12 13:06:11       -2.263508         0.000015
BFGS:   13 13:06:11       -2.263508         0.000000
BFGS:   14 13:06:11       -2.263508         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.9705802122372112e-32 eV/Angstrom
Maximum stress component: 3.9187302156507725e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb', 'Rb']
basis =  [[4.67869086e-33 2.51989346e-34 2.31745688e-32]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.852085455354743, -5.911368805094059e-38, 3.144235096603116e-39], [3.833102474411243e-37, 4.852085455354743, -8.004951500254156e-19], [-3.038631968291098e-37, -2.7786727348510853e-18, 17.053062409150275]])
forces =  [[-2.51140873e-33 -2.33619417e-34 -1.31372014e-32]
 [-4.67238834e-33 -7.00858250e-34  1.97058021e-32]
 [ 4.67238834e-33  3.27067183e-33  1.31372014e-32]
 [ 2.37999781e-33 -3.50429125e-33  1.47793516e-32]]
stress =  [-3.91873022e-11 -3.91873022e-11  1.19531460e-11 -2.18830659e-27
  4.65521409e-36 -1.81645159e-51]
energy per atom =  -0.5658770455137943
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0