element(s):
['Cs']
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:
['5.0985', '3.6231244']
model name:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cs__MO_187111446479_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[5.0985, 0, 0], [0, 5.0985, 0], [0, 0, 18.4725]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:22:02       -3.026028        0.0507
BFGS:    1 15:22:02       -3.026105        0.0502
BFGS:    2 15:22:02       -3.029538        0.0150
BFGS:    3 15:22:02       -3.029834        0.0031
BFGS:    4 15:22:02       -3.029836        0.0026
BFGS:    5 15:22:03       -3.029836        0.0026
BFGS:    6 15:22:03       -3.029841        0.0000
BFGS:    7 15:22:03       -3.029841        0.0000
BFGS:    8 15:22:03       -3.029841        0.0000
Minimization converged after 8 steps.
Maximum force component: 4.427126885147776e-33 eV/Angstrom
Maximum stress component: 4.1919769828150396e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[0.00000000e+00 6.77554944e-35 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.58160429e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.46102150e-33 7.50000000e-01]]
cellpar =  Cell([[5.008469712736193, -3.6700631465672825e-38, 1.0176290514857747e-38], [3.890118853346251e-38, 5.008469712736192, -1.0987150001237215e-17], [-1.530550498110151e-55, -4.0095747570538977e-17, 18.3895656144703]])
forces =  [[ 9.64596180e-34 -6.02872612e-35  3.54170151e-33]
 [ 9.64596180e-34 -3.61723567e-34  4.42712689e-33]
 [ 2.41149045e-34  9.64596180e-34 -3.54170151e-33]
 [-6.55558434e-72 -8.44021657e-34 -3.54170151e-33]]
stress =  [ 3.40550153e-12  3.40550153e-12  4.19197698e-11  4.36903441e-26
 -4.67522955e-66  6.49176652e-66]
energy per atom =  -0.7574601793646756
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0