element(s):
['Si']
AFLOW prototype label:
A_cF136_227_aeg
Parameter names:
['a', 'x2', 'x3', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['14.7362', '0.76473335', '0.31636148', '0.12789779']
model name:
ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_000
==== Building ASE atoms object with: ====
representative atom symbols = ['Si', 'Si', 'Si']
representative atom coordinates = [[0. 0. 0. ]
[0.88973335 0.88973335 0.88973335]
[0.44136148 0.44136148 0.25289779]]
spacegroup = 227
cell = [[14.7362, 0, 0], [0, 14.7362, 0], [0, 0, 14.7362]]
=========================================
Step Time Energy fmax
BFGS: 0 15:04:35 -559.983084 1.457900
BFGS: 1 15:04:36 -561.434208 1.443821
BFGS: 2 15:04:36 -564.084170 1.397117
BFGS: 3 15:04:37 -566.136341 1.314576
BFGS: 4 15:04:37 -567.861664 1.187876
BFGS: 5 15:04:38 -569.371159 1.009065
BFGS: 6 15:04:38 -570.700802 0.870600
BFGS: 7 15:04:39 -571.861946 0.911916
BFGS: 8 15:04:39 -572.883836 0.852410
BFGS: 9 15:04:39 -573.896990 0.606339
BFGS: 10 15:04:40 -574.643273 0.331732
BFGS: 11 15:04:40 -575.070515 0.325352
BFGS: 12 15:04:40 -575.119088 0.310487
BFGS: 13 15:04:41 -575.204013 0.258598
BFGS: 14 15:04:41 -575.226698 0.231151
BFGS: 15 15:04:41 -575.233288 0.219683
BFGS: 16 15:04:42 -575.237673 0.213807
BFGS: 17 15:04:42 -575.253174 0.194594
BFGS: 18 15:04:43 -575.274230 0.171011
BFGS: 19 15:04:43 -575.296265 0.149409
BFGS: 20 15:04:44 -575.319013 0.128984
BFGS: 21 15:04:44 -575.341541 0.109377
BFGS: 22 15:04:45 -575.362835 0.090387
BFGS: 23 15:04:45 -575.381950 0.071885
BFGS: 24 15:04:45 -575.398083 0.055115
BFGS: 25 15:04:46 -575.410577 0.040388
BFGS: 26 15:04:46 -575.418894 0.024041
BFGS: 27 15:04:46 -575.422532 0.005834
BFGS: 28 15:04:47 -575.422654 0.001301
BFGS: 29 15:04:47 -575.422660 0.000701
BFGS: 30 15:04:48 -575.422663 0.000039
BFGS: 31 15:04:48 -575.422663 0.000004
BFGS: 32 15:04:48 -575.422663 0.000000
BFGS: 33 15:04:49 -575.422663 0.000000
BFGS: 34 15:04:49 -575.422663 0.000000
Minimization converged after 34 steps.
Maximum force component: 3.941804920536457e-09 eV/Angstrom
Maximum stress component: 3.21898007262574e-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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', '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 = [[6.81933023e-34 0.00000000e+00 1.11077716e-32]
[1.29727654e-33 5.00000000e-01 5.00000000e-01]
[5.00000000e-01 5.00000000e-01 1.15883839e-32]
[5.00000000e-01 5.15111459e-33 5.00000000e-01]
[7.50000000e-01 2.50000000e-01 7.50000000e-01]
[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]
[9.05694847e-01 9.05694847e-01 9.05694847e-01]
[9.43051532e-02 5.94305153e-01 4.05694847e-01]
[5.94305153e-01 4.05694847e-01 9.43051532e-02]
[4.05694847e-01 9.43051532e-02 5.94305153e-01]
[6.55694847e-01 1.55694847e-01 8.44305153e-01]
[3.44305153e-01 3.44305153e-01 3.44305153e-01]
[1.55694847e-01 8.44305153e-01 6.55694847e-01]
[8.44305153e-01 6.55694847e-01 1.55694847e-01]
[1.55694847e-01 6.55694847e-01 8.44305153e-01]
[6.55694847e-01 8.44305153e-01 1.55694847e-01]
[8.44305153e-01 1.55694847e-01 6.55694847e-01]
[5.94305153e-01 9.43051532e-02 4.05694847e-01]
[9.43051532e-02 4.05694847e-01 5.94305153e-01]
[4.05694847e-01 5.94305153e-01 9.43051532e-02]
[9.05694847e-01 4.05694847e-01 4.05694847e-01]
[9.43051532e-02 9.43051532e-02 9.05694847e-01]
[5.94305153e-01 9.05694847e-01 5.94305153e-01]
[6.55694847e-01 6.55694847e-01 3.44305153e-01]
[3.44305153e-01 8.44305153e-01 8.44305153e-01]
[1.55694847e-01 3.44305153e-01 1.55694847e-01]
[1.55694847e-01 1.55694847e-01 3.44305153e-01]
[6.55694847e-01 3.44305153e-01 6.55694847e-01]
[5.94305153e-01 5.94305153e-01 9.05694847e-01]
[9.43051532e-02 9.05694847e-01 9.43051532e-02]
[4.05694847e-01 9.05694847e-01 4.05694847e-01]
[9.05694847e-01 9.43051532e-02 9.43051532e-02]
[8.44305153e-01 3.44305153e-01 8.44305153e-01]
[3.44305153e-01 6.55694847e-01 6.55694847e-01]
[3.44305153e-01 1.55694847e-01 1.55694847e-01]
[9.05694847e-01 5.94305153e-01 5.94305153e-01]
[4.05694847e-01 4.05694847e-01 9.05694847e-01]
[8.44305153e-01 8.44305153e-01 3.44305153e-01]
[4.41212996e-01 4.41212996e-01 2.55865398e-01]
[5.58787004e-01 5.87870040e-02 7.55865398e-01]
[5.87870040e-02 9.41212996e-01 7.44134602e-01]
[9.41212996e-01 5.58787004e-01 2.44134602e-01]
[2.55865398e-01 4.41212996e-01 4.41212996e-01]
[7.55865398e-01 5.58787004e-01 5.87870040e-02]
[7.44134602e-01 5.87870040e-02 9.41212996e-01]
[2.44134602e-01 9.41212996e-01 5.58787004e-01]
[4.41212996e-01 2.55865398e-01 4.41212996e-01]
[5.87870040e-02 7.55865398e-01 5.58787004e-01]
[9.41212996e-01 7.44134602e-01 5.87870040e-02]
[5.58787004e-01 2.44134602e-01 9.41212996e-01]
[1.91212996e-01 6.91212996e-01 4.94134602e-01]
[8.08787004e-01 8.08787004e-01 9.94134602e-01]
[6.91212996e-01 3.08787004e-01 5.86539778e-03]
[3.08787004e-01 1.91212996e-01 5.05865398e-01]
[1.91212996e-01 5.05865398e-01 3.08787004e-01]
[3.08787004e-01 5.86539778e-03 6.91212996e-01]
[8.08787004e-01 9.94134602e-01 8.08787004e-01]
[6.91212996e-01 4.94134602e-01 1.91212996e-01]
[5.86539778e-03 6.91212996e-01 3.08787004e-01]
[5.05865398e-01 3.08787004e-01 1.91212996e-01]
[4.94134602e-01 1.91212996e-01 6.91212996e-01]
[9.94134602e-01 8.08787004e-01 8.08787004e-01]
[6.91212996e-01 1.91212996e-01 4.94134602e-01]
[1.91212996e-01 3.08787004e-01 5.05865398e-01]
[3.08787004e-01 6.91212996e-01 5.86539778e-03]
[4.94134602e-01 6.91212996e-01 1.91212996e-01]
[5.05865398e-01 1.91212996e-01 3.08787004e-01]
[5.86539778e-03 3.08787004e-01 6.91212996e-01]
[1.91212996e-01 4.94134602e-01 6.91212996e-01]
[3.08787004e-01 5.05865398e-01 1.91212996e-01]
[6.91212996e-01 5.86539778e-03 3.08787004e-01]
[5.87870040e-02 5.58787004e-01 7.55865398e-01]
[5.58787004e-01 9.41212996e-01 2.44134602e-01]
[9.41212996e-01 5.87870040e-02 7.44134602e-01]
[5.87870040e-02 7.44134602e-01 9.41212996e-01]
[9.41212996e-01 2.44134602e-01 5.58787004e-01]
[5.58787004e-01 7.55865398e-01 5.87870040e-02]
[2.44134602e-01 5.58787004e-01 9.41212996e-01]
[7.44134602e-01 9.41212996e-01 5.87870040e-02]
[7.55865398e-01 5.87870040e-02 5.58787004e-01]
[4.41212996e-01 9.41212996e-01 7.55865398e-01]
[5.58787004e-01 5.58787004e-01 2.55865398e-01]
[5.87870040e-02 4.41212996e-01 2.44134602e-01]
[2.55865398e-01 9.41212996e-01 9.41212996e-01]
[7.44134602e-01 5.58787004e-01 4.41212996e-01]
[2.44134602e-01 4.41212996e-01 5.87870040e-02]
[4.41212996e-01 7.55865398e-01 9.41212996e-01]
[5.87870040e-02 2.55865398e-01 5.87870040e-02]
[5.58787004e-01 7.44134602e-01 4.41212996e-01]
[1.91212996e-01 1.91212996e-01 9.94134602e-01]
[8.08787004e-01 3.08787004e-01 4.94134602e-01]
[6.91212996e-01 8.08787004e-01 5.05865398e-01]
[1.91212996e-01 5.86539778e-03 8.08787004e-01]
[8.08787004e-01 4.94134602e-01 3.08787004e-01]
[6.91212996e-01 9.94134602e-01 6.91212996e-01]
[5.86539778e-03 1.91212996e-01 8.08787004e-01]
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[9.94134602e-01 3.08787004e-01 3.08787004e-01]
[6.91212996e-01 6.91212996e-01 9.94134602e-01]
[1.91212996e-01 8.08787004e-01 5.86539778e-03]
[5.05865398e-01 6.91212996e-01 8.08787004e-01]
[5.86539778e-03 8.08787004e-01 1.91212996e-01]
[1.91212996e-01 9.94134602e-01 1.91212996e-01]
[6.91212996e-01 5.05865398e-01 8.08787004e-01]
[5.87870040e-02 5.87870040e-02 2.55865398e-01]
[5.58787004e-01 4.41212996e-01 7.44134602e-01]
[5.87870040e-02 2.44134602e-01 4.41212996e-01]
[5.58787004e-01 2.55865398e-01 5.58787004e-01]
[2.44134602e-01 5.87870040e-02 4.41212996e-01]
[7.44134602e-01 4.41212996e-01 5.58787004e-01]
[9.41212996e-01 4.41212996e-01 7.55865398e-01]
[4.41212996e-01 5.58787004e-01 7.44134602e-01]
[7.55865398e-01 4.41212996e-01 9.41212996e-01]
[2.55865398e-01 5.58787004e-01 5.58787004e-01]
[9.41212996e-01 2.55865398e-01 9.41212996e-01]
[4.41212996e-01 7.44134602e-01 5.58787004e-01]
[3.08787004e-01 8.08787004e-01 4.94134602e-01]
[8.08787004e-01 1.91212996e-01 5.86539778e-03]
[8.08787004e-01 5.86539778e-03 1.91212996e-01]
[3.08787004e-01 9.94134602e-01 3.08787004e-01]
[9.94134602e-01 1.91212996e-01 1.91212996e-01]
[4.94134602e-01 8.08787004e-01 3.08787004e-01]
[8.08787004e-01 6.91212996e-01 5.05865398e-01]
[9.94134602e-01 6.91212996e-01 6.91212996e-01]
[8.08787004e-01 5.05865398e-01 6.91212996e-01]
[4.41212996e-01 5.87870040e-02 2.44134602e-01]
[4.41212996e-01 2.44134602e-01 5.87870040e-02]
[2.55865398e-01 5.87870040e-02 5.87870040e-02]
[9.41212996e-01 9.41212996e-01 2.55865398e-01]
[7.55865398e-01 9.41212996e-01 4.41212996e-01]
[9.41212996e-01 7.55865398e-01 4.41212996e-01]
[3.08787004e-01 3.08787004e-01 9.94134602e-01]
[3.08787004e-01 4.94134602e-01 8.08787004e-01]
[4.94134602e-01 3.08787004e-01 8.08787004e-01]]
cellpar = Cell([[14.824582316977727, 1.1765860381582438e-32, 5.3274624054446395e-34], [9.326753733832705e-33, 14.824582316977727, -1.0415579983846602e-18], [-2.3043313914251392e-34, -1.0415579983846532e-18, 14.824582316977727]])
forces = [[ 6.09090283e-32 4.41590455e-31 -3.12158770e-31]
[ 6.39544797e-31 -8.29885510e-31 -1.52272571e-32]
[ 2.43636113e-31 1.21818057e-31 1.02022622e-30]
[ 5.48181254e-31 2.96931513e-31 -8.60340024e-31]
[-1.97954342e-31 3.04545141e-31 5.17726740e-31]
[-6.09090283e-32 -6.09090283e-32 1.82727085e-31]
[-4.26363198e-31 4.26363198e-31 -6.09090283e-32]
[ 1.24428808e-64 1.82727085e-31 -6.09090283e-31]
[-3.94180492e-09 -3.94180492e-09 -3.94180492e-09]
[ 3.94180492e-09 3.94180492e-09 -3.94180492e-09]
[ 3.94180492e-09 -3.94180492e-09 3.94180492e-09]
[-3.94180492e-09 3.94180492e-09 3.94180492e-09]
[-3.94180492e-09 -3.94180492e-09 3.94180492e-09]
[ 3.94180492e-09 3.94180492e-09 3.94180492e-09]
[-3.94180492e-09 3.94180492e-09 -3.94180492e-09]
[ 3.94180492e-09 -3.94180492e-09 -3.94180492e-09]
[-3.94180492e-09 -3.94180492e-09 3.94180492e-09]
[-3.94180492e-09 3.94180492e-09 -3.94180492e-09]
[ 3.94180492e-09 -3.94180492e-09 -3.94180492e-09]
[ 3.94180492e-09 3.94180492e-09 -3.94180492e-09]
[ 3.94180492e-09 -3.94180492e-09 3.94180492e-09]
[-3.94180492e-09 3.94180492e-09 3.94180492e-09]
[-3.94180492e-09 -3.94180492e-09 -3.94180492e-09]
[ 3.94180492e-09 3.94180492e-09 -3.94180492e-09]
[ 3.94180492e-09 -3.94180492e-09 3.94180492e-09]
[-3.94180492e-09 -3.94180492e-09 3.94180492e-09]
[ 3.94180492e-09 3.94180492e-09 3.94180492e-09]
[-3.94180492e-09 3.94180492e-09 -3.94180492e-09]
[-3.94180492e-09 -3.94180492e-09 3.94180492e-09]
[-3.94180492e-09 3.94180492e-09 -3.94180492e-09]
[ 3.94180492e-09 3.94180492e-09 -3.94180492e-09]
[ 3.94180492e-09 -3.94180492e-09 3.94180492e-09]
[-3.94180492e-09 -3.94180492e-09 -3.94180492e-09]
[-3.94180492e-09 3.94180492e-09 3.94180492e-09]
[ 3.94180492e-09 3.94180492e-09 3.94180492e-09]
[ 3.94180492e-09 -3.94180492e-09 -3.94180492e-09]
[ 3.94180492e-09 -3.94180492e-09 -3.94180492e-09]
[-3.94180492e-09 3.94180492e-09 3.94180492e-09]
[-3.94180492e-09 -3.94180492e-09 -3.94180492e-09]
[ 3.94180492e-09 3.94180492e-09 3.94180492e-09]
[ 7.08887267e-10 7.08887267e-10 -7.32014625e-10]
[-7.08887267e-10 -7.08887267e-10 -7.32014625e-10]
[-7.08887267e-10 7.08887267e-10 7.32014625e-10]
[ 7.08887267e-10 -7.08887267e-10 7.32014625e-10]
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[ 7.32014625e-10 -7.08887267e-10 7.08887267e-10]
[ 7.32014625e-10 7.08887267e-10 -7.08887267e-10]
[ 7.08887267e-10 -7.32014625e-10 7.08887267e-10]
[-7.08887267e-10 -7.32014625e-10 -7.08887267e-10]
[ 7.08887267e-10 7.32014625e-10 -7.08887267e-10]
[-7.08887267e-10 7.32014625e-10 7.08887267e-10]
[ 7.08887267e-10 7.08887267e-10 7.32014625e-10]
[-7.08887267e-10 -7.08887267e-10 7.32014625e-10]
[ 7.08887267e-10 -7.08887267e-10 -7.32014625e-10]
[-7.08887267e-10 7.08887267e-10 -7.32014625e-10]
[ 7.08887267e-10 -7.32014625e-10 -7.08887267e-10]
[-7.08887267e-10 -7.32014625e-10 7.08887267e-10]
[-7.08887267e-10 7.32014625e-10 -7.08887267e-10]
[ 7.08887267e-10 7.32014625e-10 7.08887267e-10]
[-7.32014625e-10 7.08887267e-10 -7.08887267e-10]
[-7.32014625e-10 -7.08887267e-10 7.08887267e-10]
[ 7.32014625e-10 7.08887267e-10 7.08887267e-10]
[ 7.32014625e-10 -7.08887267e-10 -7.08887267e-10]
[ 7.08887267e-10 7.08887267e-10 7.32014625e-10]
[ 7.08887267e-10 -7.08887267e-10 -7.32014625e-10]
[-7.08887267e-10 7.08887267e-10 -7.32014625e-10]
[ 7.32014625e-10 7.08887267e-10 7.08887267e-10]
[-7.32014625e-10 7.08887267e-10 -7.08887267e-10]
[-7.32014625e-10 -7.08887267e-10 7.08887267e-10]
[ 7.08887267e-10 7.32014625e-10 7.08887267e-10]
[-7.08887267e-10 -7.32014625e-10 7.08887267e-10]
[ 7.08887267e-10 -7.32014625e-10 -7.08887267e-10]
[-7.08887267e-10 -7.08887267e-10 -7.32014625e-10]
[-7.08887267e-10 7.08887267e-10 7.32014625e-10]
[ 7.08887267e-10 -7.08887267e-10 7.32014625e-10]
[-7.08887267e-10 7.32014625e-10 7.08887267e-10]
[ 7.08887267e-10 7.32014625e-10 -7.08887267e-10]
[-7.08887267e-10 -7.32014625e-10 -7.08887267e-10]
[ 7.32014625e-10 -7.08887267e-10 7.08887267e-10]
[ 7.32014625e-10 7.08887267e-10 -7.08887267e-10]
[-7.32014625e-10 -7.08887267e-10 -7.08887267e-10]
[ 7.08887267e-10 7.08887267e-10 -7.32014625e-10]
[-7.08887267e-10 -7.08887267e-10 -7.32014625e-10]
[-7.08887267e-10 7.08887267e-10 7.32014625e-10]
[-7.32014625e-10 7.08887267e-10 7.08887267e-10]
[ 7.32014625e-10 -7.08887267e-10 7.08887267e-10]
[ 7.32014625e-10 7.08887267e-10 -7.08887267e-10]
[ 7.08887267e-10 -7.32014625e-10 7.08887267e-10]
[-7.08887267e-10 -7.32014625e-10 -7.08887267e-10]
[-7.08887267e-10 7.32014625e-10 7.08887267e-10]
[ 7.08887267e-10 7.08887267e-10 7.32014625e-10]
[-7.08887267e-10 -7.08887267e-10 7.32014625e-10]
[ 7.08887267e-10 -7.08887267e-10 -7.32014625e-10]
[ 7.08887267e-10 -7.32014625e-10 -7.08887267e-10]
[-7.08887267e-10 7.32014625e-10 -7.08887267e-10]
[ 7.08887267e-10 7.32014625e-10 7.08887267e-10]
[-7.32014625e-10 7.08887267e-10 -7.08887267e-10]
[-7.32014625e-10 -7.08887267e-10 7.08887267e-10]
[ 7.32014625e-10 -7.08887267e-10 -7.08887267e-10]
[ 7.08887267e-10 7.08887267e-10 7.32014625e-10]
[ 7.08887267e-10 -7.08887267e-10 -7.32014625e-10]
[-7.32014625e-10 7.08887267e-10 -7.08887267e-10]
[-7.32014625e-10 -7.08887267e-10 7.08887267e-10]
[ 7.08887267e-10 7.32014625e-10 7.08887267e-10]
[ 7.08887267e-10 -7.32014625e-10 -7.08887267e-10]
[-7.08887267e-10 -7.08887267e-10 -7.32014625e-10]
[-7.08887267e-10 7.08887267e-10 7.32014625e-10]
[-7.08887267e-10 7.32014625e-10 7.08887267e-10]
[-7.08887267e-10 -7.32014625e-10 -7.08887267e-10]
[ 7.32014625e-10 -7.08887267e-10 7.08887267e-10]
[ 7.32014625e-10 7.08887267e-10 -7.08887267e-10]
[ 7.08887267e-10 7.08887267e-10 -7.32014625e-10]
[ 7.08887267e-10 -7.08887267e-10 7.32014625e-10]
[-7.32014625e-10 7.08887267e-10 7.08887267e-10]
[-7.32014625e-10 -7.08887267e-10 -7.08887267e-10]
[ 7.08887267e-10 -7.32014625e-10 7.08887267e-10]
[ 7.08887267e-10 7.32014625e-10 -7.08887267e-10]
[-7.08887267e-10 -7.08887267e-10 7.32014625e-10]
[-7.08887267e-10 7.08887267e-10 -7.32014625e-10]
[-7.08887267e-10 -7.32014625e-10 7.08887267e-10]
[-7.08887267e-10 7.32014625e-10 -7.08887267e-10]
[ 7.32014625e-10 7.08887267e-10 7.08887267e-10]
[ 7.32014625e-10 -7.08887267e-10 -7.08887267e-10]
[-7.08887267e-10 7.08887267e-10 -7.32014625e-10]
[ 7.32014625e-10 7.08887267e-10 7.08887267e-10]
[-7.08887267e-10 -7.32014625e-10 7.08887267e-10]
[ 7.08887267e-10 -7.08887267e-10 7.32014625e-10]
[ 7.08887267e-10 7.32014625e-10 -7.08887267e-10]
[-7.32014625e-10 -7.08887267e-10 -7.08887267e-10]
[ 7.08887267e-10 7.08887267e-10 -7.32014625e-10]
[-7.32014625e-10 7.08887267e-10 7.08887267e-10]
[ 7.08887267e-10 -7.32014625e-10 7.08887267e-10]
[-7.08887267e-10 -7.08887267e-10 7.32014625e-10]
[-7.08887267e-10 7.32014625e-10 -7.08887267e-10]
[ 7.32014625e-10 -7.08887267e-10 -7.08887267e-10]]
stress = [-3.21898007e-11 -3.21898007e-11 -3.21898007e-11 -6.69953011e-30
3.73907579e-35 -5.23054200e-53]
energy per atom = -4.231048992667064
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0