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:
SNAP_ZuoChenLi_2019quadratic_Si__MO_721469752060_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 16:41:45 -683.069511 1.1431
BFGS: 1 16:41:46 -683.790366 1.1783
BFGS: 2 16:41:47 -685.936291 1.2119
BFGS: 3 16:41:47 -687.877656 1.1172
BFGS: 4 16:41:48 -689.435980 0.8910
BFGS: 5 16:41:49 -690.452272 0.5503
BFGS: 6 16:41:49 -690.864710 0.4809
BFGS: 7 16:41:50 -690.975772 0.4440
BFGS: 8 16:41:50 -691.444658 0.3261
BFGS: 9 16:41:51 -691.524525 0.3049
BFGS: 10 16:41:51 -691.757030 0.2341
BFGS: 11 16:41:51 -691.822532 0.2209
BFGS: 12 16:41:52 -691.843487 0.2276
BFGS: 13 16:41:52 -691.847083 0.2311
BFGS: 14 16:41:53 -691.856515 0.2356
BFGS: 15 16:41:53 -691.878052 0.2369
BFGS: 16 16:41:54 -691.901171 0.2323
BFGS: 17 16:41:54 -691.926055 0.2250
BFGS: 18 16:41:55 -691.952155 0.2161
BFGS: 19 16:41:55 -691.978867 0.2061
BFGS: 20 16:41:56 -692.005651 0.1953
BFGS: 21 16:41:57 -692.032033 0.1838
BFGS: 22 16:41:57 -692.057610 0.1719
BFGS: 23 16:41:57 -692.082046 0.1595
BFGS: 24 16:41:58 -692.105077 0.1469
BFGS: 25 16:41:59 -692.126494 0.1339
BFGS: 26 16:41:59 -692.146142 0.1208
BFGS: 27 16:42:00 -692.163898 0.1075
BFGS: 28 16:42:00 -692.179673 0.0939
BFGS: 29 16:42:00 -692.193393 0.0803
BFGS: 30 16:42:01 -692.205001 0.0665
BFGS: 31 16:42:01 -692.214451 0.0525
BFGS: 32 16:42:02 -692.221699 0.0384
BFGS: 33 16:42:03 -692.226710 0.0242
BFGS: 34 16:42:03 -692.229445 0.0098
BFGS: 35 16:42:03 -692.229983 0.0003
BFGS: 36 16:42:04 -692.229984 0.0002
BFGS: 37 16:42:04 -692.229984 0.0000
BFGS: 38 16:42:05 -692.229984 0.0000
BFGS: 39 16:42:06 -692.229984 0.0000
BFGS: 40 16:42:06 -692.229984 0.0000
Minimization converged after 40 steps.
Maximum force component: 3.7128169809532067e-09 eV/Angstrom
Maximum stress component: 3.7916310215864955e-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 = [[0.00000000e+00 0.00000000e+00 1.48560542e-33]
[0.00000000e+00 5.00000000e-01 5.00000000e-01]
[5.00000000e-01 5.00000000e-01 2.85915161e-33]
[5.00000000e-01 1.85778976e-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]
[9.01350835e-01 9.01350835e-01 9.01350835e-01]
[9.86491653e-02 5.98649165e-01 4.01350835e-01]
[5.98649165e-01 4.01350835e-01 9.86491653e-02]
[4.01350835e-01 9.86491653e-02 5.98649165e-01]
[6.51350835e-01 1.51350835e-01 8.48649165e-01]
[3.48649165e-01 3.48649165e-01 3.48649165e-01]
[1.51350835e-01 8.48649165e-01 6.51350835e-01]
[8.48649165e-01 6.51350835e-01 1.51350835e-01]
[1.51350835e-01 6.51350835e-01 8.48649165e-01]
[6.51350835e-01 8.48649165e-01 1.51350835e-01]
[8.48649165e-01 1.51350835e-01 6.51350835e-01]
[5.98649165e-01 9.86491653e-02 4.01350835e-01]
[9.86491653e-02 4.01350835e-01 5.98649165e-01]
[4.01350835e-01 5.98649165e-01 9.86491653e-02]
[9.01350835e-01 4.01350835e-01 4.01350835e-01]
[9.86491653e-02 9.86491653e-02 9.01350835e-01]
[5.98649165e-01 9.01350835e-01 5.98649165e-01]
[6.51350835e-01 6.51350835e-01 3.48649165e-01]
[3.48649165e-01 8.48649165e-01 8.48649165e-01]
[1.51350835e-01 3.48649165e-01 1.51350835e-01]
[1.51350835e-01 1.51350835e-01 3.48649165e-01]
[6.51350835e-01 3.48649165e-01 6.51350835e-01]
[5.98649165e-01 5.98649165e-01 9.01350835e-01]
[9.86491653e-02 9.01350835e-01 9.86491653e-02]
[4.01350835e-01 9.01350835e-01 4.01350835e-01]
[9.01350835e-01 9.86491653e-02 9.86491653e-02]
[8.48649165e-01 3.48649165e-01 8.48649165e-01]
[3.48649165e-01 6.51350835e-01 6.51350835e-01]
[3.48649165e-01 1.51350835e-01 1.51350835e-01]
[9.01350835e-01 5.98649165e-01 5.98649165e-01]
[4.01350835e-01 4.01350835e-01 9.01350835e-01]
[8.48649165e-01 8.48649165e-01 3.48649165e-01]
[4.40924930e-01 4.40924930e-01 2.55934786e-01]
[5.59075070e-01 5.90750701e-02 7.55934786e-01]
[5.90750701e-02 9.40924930e-01 7.44065214e-01]
[9.40924930e-01 5.59075070e-01 2.44065214e-01]
[2.55934786e-01 4.40924930e-01 4.40924930e-01]
[7.55934786e-01 5.59075070e-01 5.90750701e-02]
[7.44065214e-01 5.90750701e-02 9.40924930e-01]
[2.44065214e-01 9.40924930e-01 5.59075070e-01]
[4.40924930e-01 2.55934786e-01 4.40924930e-01]
[5.90750701e-02 7.55934786e-01 5.59075070e-01]
[9.40924930e-01 7.44065214e-01 5.90750701e-02]
[5.59075070e-01 2.44065214e-01 9.40924930e-01]
[1.90924930e-01 6.90924930e-01 4.94065214e-01]
[8.09075070e-01 8.09075070e-01 9.94065214e-01]
[6.90924930e-01 3.09075070e-01 5.93478640e-03]
[3.09075070e-01 1.90924930e-01 5.05934786e-01]
[1.90924930e-01 5.05934786e-01 3.09075070e-01]
[3.09075070e-01 5.93478640e-03 6.90924930e-01]
[8.09075070e-01 9.94065214e-01 8.09075070e-01]
[6.90924930e-01 4.94065214e-01 1.90924930e-01]
[5.93478640e-03 6.90924930e-01 3.09075070e-01]
[5.05934786e-01 3.09075070e-01 1.90924930e-01]
[4.94065214e-01 1.90924930e-01 6.90924930e-01]
[9.94065214e-01 8.09075070e-01 8.09075070e-01]
[6.90924930e-01 1.90924930e-01 4.94065214e-01]
[1.90924930e-01 3.09075070e-01 5.05934786e-01]
[3.09075070e-01 6.90924930e-01 5.93478640e-03]
[4.94065214e-01 6.90924930e-01 1.90924930e-01]
[5.05934786e-01 1.90924930e-01 3.09075070e-01]
[5.93478640e-03 3.09075070e-01 6.90924930e-01]
[1.90924930e-01 4.94065214e-01 6.90924930e-01]
[3.09075070e-01 5.05934786e-01 1.90924930e-01]
[6.90924930e-01 5.93478640e-03 3.09075070e-01]
[5.90750701e-02 5.59075070e-01 7.55934786e-01]
[5.59075070e-01 9.40924930e-01 2.44065214e-01]
[9.40924930e-01 5.90750701e-02 7.44065214e-01]
[5.90750701e-02 7.44065214e-01 9.40924930e-01]
[9.40924930e-01 2.44065214e-01 5.59075070e-01]
[5.59075070e-01 7.55934786e-01 5.90750701e-02]
[2.44065214e-01 5.59075070e-01 9.40924930e-01]
[7.44065214e-01 9.40924930e-01 5.90750701e-02]
[7.55934786e-01 5.90750701e-02 5.59075070e-01]
[4.40924930e-01 9.40924930e-01 7.55934786e-01]
[5.59075070e-01 5.59075070e-01 2.55934786e-01]
[5.90750701e-02 4.40924930e-01 2.44065214e-01]
[2.55934786e-01 9.40924930e-01 9.40924930e-01]
[7.44065214e-01 5.59075070e-01 4.40924930e-01]
[2.44065214e-01 4.40924930e-01 5.90750701e-02]
[4.40924930e-01 7.55934786e-01 9.40924930e-01]
[5.90750701e-02 2.55934786e-01 5.90750701e-02]
[5.59075070e-01 7.44065214e-01 4.40924930e-01]
[1.90924930e-01 1.90924930e-01 9.94065214e-01]
[8.09075070e-01 3.09075070e-01 4.94065214e-01]
[6.90924930e-01 8.09075070e-01 5.05934786e-01]
[1.90924930e-01 5.93478640e-03 8.09075070e-01]
[8.09075070e-01 4.94065214e-01 3.09075070e-01]
[6.90924930e-01 9.94065214e-01 6.90924930e-01]
[5.93478640e-03 1.90924930e-01 8.09075070e-01]
[5.05934786e-01 8.09075070e-01 6.90924930e-01]
[9.94065214e-01 3.09075070e-01 3.09075070e-01]
[6.90924930e-01 6.90924930e-01 9.94065214e-01]
[1.90924930e-01 8.09075070e-01 5.93478640e-03]
[5.05934786e-01 6.90924930e-01 8.09075070e-01]
[5.93478640e-03 8.09075070e-01 1.90924930e-01]
[1.90924930e-01 9.94065214e-01 1.90924930e-01]
[6.90924930e-01 5.05934786e-01 8.09075070e-01]
[5.90750701e-02 5.90750701e-02 2.55934786e-01]
[5.59075070e-01 4.40924930e-01 7.44065214e-01]
[5.90750701e-02 2.44065214e-01 4.40924930e-01]
[5.59075070e-01 2.55934786e-01 5.59075070e-01]
[2.44065214e-01 5.90750701e-02 4.40924930e-01]
[7.44065214e-01 4.40924930e-01 5.59075070e-01]
[9.40924930e-01 4.40924930e-01 7.55934786e-01]
[4.40924930e-01 5.59075070e-01 7.44065214e-01]
[7.55934786e-01 4.40924930e-01 9.40924930e-01]
[2.55934786e-01 5.59075070e-01 5.59075070e-01]
[9.40924930e-01 2.55934786e-01 9.40924930e-01]
[4.40924930e-01 7.44065214e-01 5.59075070e-01]
[3.09075070e-01 8.09075070e-01 4.94065214e-01]
[8.09075070e-01 1.90924930e-01 5.93478640e-03]
[8.09075070e-01 5.93478640e-03 1.90924930e-01]
[3.09075070e-01 9.94065214e-01 3.09075070e-01]
[9.94065214e-01 1.90924930e-01 1.90924930e-01]
[4.94065214e-01 8.09075070e-01 3.09075070e-01]
[8.09075070e-01 6.90924930e-01 5.05934786e-01]
[9.94065214e-01 6.90924930e-01 6.90924930e-01]
[8.09075070e-01 5.05934786e-01 6.90924930e-01]
[4.40924930e-01 5.90750701e-02 2.44065214e-01]
[4.40924930e-01 2.44065214e-01 5.90750701e-02]
[2.55934786e-01 5.90750701e-02 5.90750701e-02]
[9.40924930e-01 9.40924930e-01 2.55934786e-01]
[7.55934786e-01 9.40924930e-01 4.40924930e-01]
[9.40924930e-01 7.55934786e-01 4.40924930e-01]
[3.09075070e-01 3.09075070e-01 9.94065214e-01]
[3.09075070e-01 4.94065214e-01 8.09075070e-01]
[4.94065214e-01 3.09075070e-01 8.09075070e-01]]
cellpar = Cell([[14.617161128445089, -1.42434279857716e-32, -3.305137558316396e-33], [-6.5755145848548e-33, 14.617161128445089, 1.8135757224498926e-18], [3.4388032940222604e-32, 1.8135757224498476e-18, 14.617161128445089]])
forces = [[-1.57649119e-31 7.60093965e-31 9.43061343e-50]
[ 3.67847943e-31 -1.80170421e-31 3.90369246e-31]
[ 1.20113614e-31 1.32124976e-30 -6.60624878e-31]
[ 2.40227228e-31 -3.67847943e-31 -2.55241430e-31]
[-3.00284035e-31 -1.38130656e-30 7.43202988e-31]
[ 1.05099412e-31 1.50142018e-31 4.20397650e-31]
[-7.73231391e-31 -9.68416014e-31 3.02160811e-31]
[ 7.20681685e-31 -1.24570955e-31 -6.00568071e-32]
[-3.71281698e-09 -3.71281698e-09 -3.71281698e-09]
[ 3.71281698e-09 3.71281698e-09 -3.71281698e-09]
[ 3.71281698e-09 -3.71281698e-09 3.71281698e-09]
[-3.71281698e-09 3.71281698e-09 3.71281698e-09]
[-3.71281698e-09 -3.71281698e-09 3.71281698e-09]
[ 3.71281698e-09 3.71281698e-09 3.71281698e-09]
[-3.71281698e-09 3.71281698e-09 -3.71281698e-09]
[ 3.71281698e-09 -3.71281698e-09 -3.71281698e-09]
[-3.71281698e-09 -3.71281698e-09 3.71281698e-09]
[-3.71281698e-09 3.71281698e-09 -3.71281698e-09]
[ 3.71281698e-09 -3.71281698e-09 -3.71281698e-09]
[ 3.71281698e-09 3.71281698e-09 -3.71281698e-09]
[ 3.71281698e-09 -3.71281698e-09 3.71281698e-09]
[-3.71281698e-09 3.71281698e-09 3.71281698e-09]
[-3.71281698e-09 -3.71281698e-09 -3.71281698e-09]
[ 3.71281698e-09 3.71281698e-09 -3.71281698e-09]
[ 3.71281698e-09 -3.71281698e-09 3.71281698e-09]
[-3.71281698e-09 -3.71281698e-09 3.71281698e-09]
[ 3.71281698e-09 3.71281698e-09 3.71281698e-09]
[-3.71281698e-09 3.71281698e-09 -3.71281698e-09]
[-3.71281698e-09 -3.71281698e-09 3.71281698e-09]
[-3.71281698e-09 3.71281698e-09 -3.71281698e-09]
[ 3.71281698e-09 3.71281698e-09 -3.71281698e-09]
[ 3.71281698e-09 -3.71281698e-09 3.71281698e-09]
[-3.71281698e-09 -3.71281698e-09 -3.71281698e-09]
[-3.71281698e-09 3.71281698e-09 3.71281698e-09]
[ 3.71281698e-09 3.71281698e-09 3.71281698e-09]
[ 3.71281698e-09 -3.71281698e-09 -3.71281698e-09]
[ 3.71281698e-09 -3.71281698e-09 -3.71281698e-09]
[-3.71281698e-09 3.71281698e-09 3.71281698e-09]
[-3.71281698e-09 -3.71281698e-09 -3.71281698e-09]
[ 3.71281698e-09 3.71281698e-09 3.71281698e-09]
[-1.42069965e-10 -1.42069965e-10 9.67353361e-10]
[ 1.42069965e-10 1.42069965e-10 9.67353361e-10]
[ 1.42069965e-10 -1.42069965e-10 -9.67353361e-10]
[-1.42069965e-10 1.42069965e-10 -9.67353361e-10]
[ 9.67353361e-10 -1.42069965e-10 -1.42069965e-10]
[ 9.67353361e-10 1.42069965e-10 1.42069965e-10]
[-9.67353361e-10 1.42069965e-10 -1.42069965e-10]
[-9.67353361e-10 -1.42069965e-10 1.42069965e-10]
[-1.42069965e-10 9.67353361e-10 -1.42069965e-10]
[ 1.42069965e-10 9.67353361e-10 1.42069965e-10]
[-1.42069965e-10 -9.67353361e-10 1.42069965e-10]
[ 1.42069965e-10 -9.67353361e-10 -1.42069965e-10]
[-1.42069965e-10 -1.42069965e-10 -9.67353361e-10]
[ 1.42069965e-10 1.42069965e-10 -9.67353361e-10]
[-1.42069965e-10 1.42069965e-10 9.67353361e-10]
[ 1.42069965e-10 -1.42069965e-10 9.67353361e-10]
[-1.42069965e-10 9.67353361e-10 1.42069965e-10]
[ 1.42069965e-10 9.67353361e-10 -1.42069965e-10]
[ 1.42069965e-10 -9.67353361e-10 1.42069965e-10]
[-1.42069965e-10 -9.67353361e-10 -1.42069965e-10]
[ 9.67353361e-10 -1.42069965e-10 1.42069965e-10]
[ 9.67353361e-10 1.42069965e-10 -1.42069965e-10]
[-9.67353361e-10 -1.42069965e-10 -1.42069965e-10]
[-9.67353361e-10 1.42069965e-10 1.42069965e-10]
[-1.42069965e-10 -1.42069965e-10 -9.67353361e-10]
[-1.42069965e-10 1.42069965e-10 9.67353361e-10]
[ 1.42069965e-10 -1.42069965e-10 9.67353361e-10]
[-9.67353361e-10 -1.42069965e-10 -1.42069965e-10]
[ 9.67353361e-10 -1.42069965e-10 1.42069965e-10]
[ 9.67353361e-10 1.42069965e-10 -1.42069965e-10]
[-1.42069965e-10 -9.67353361e-10 -1.42069965e-10]
[ 1.42069965e-10 9.67353361e-10 -1.42069965e-10]
[-1.42069965e-10 9.67353361e-10 1.42069965e-10]
[ 1.42069965e-10 1.42069965e-10 9.67353361e-10]
[ 1.42069965e-10 -1.42069965e-10 -9.67353361e-10]
[-1.42069965e-10 1.42069965e-10 -9.67353361e-10]
[ 1.42069965e-10 -9.67353361e-10 -1.42069965e-10]
[-1.42069965e-10 -9.67353361e-10 1.42069965e-10]
[ 1.42069965e-10 9.67353361e-10 1.42069965e-10]
[-9.67353361e-10 1.42069965e-10 -1.42069965e-10]
[-9.67353361e-10 -1.42069965e-10 1.42069965e-10]
[ 9.67353361e-10 1.42069965e-10 1.42069965e-10]
[-1.42069965e-10 -1.42069965e-10 9.67353361e-10]
[ 1.42069965e-10 1.42069965e-10 9.67353361e-10]
[ 1.42069965e-10 -1.42069965e-10 -9.67353361e-10]
[ 9.67353361e-10 -1.42069965e-10 -1.42069965e-10]
[-9.67353361e-10 1.42069965e-10 -1.42069965e-10]
[-9.67353361e-10 -1.42069965e-10 1.42069965e-10]
[-1.42069965e-10 9.67353361e-10 -1.42069965e-10]
[ 1.42069965e-10 9.67353361e-10 1.42069965e-10]
[ 1.42069965e-10 -9.67353361e-10 -1.42069965e-10]
[-1.42069965e-10 -1.42069965e-10 -9.67353361e-10]
[ 1.42069965e-10 1.42069965e-10 -9.67353361e-10]
[-1.42069965e-10 1.42069965e-10 9.67353361e-10]
[-1.42069965e-10 9.67353361e-10 1.42069965e-10]
[ 1.42069965e-10 -9.67353361e-10 1.42069965e-10]
[-1.42069965e-10 -9.67353361e-10 -1.42069965e-10]
[ 9.67353361e-10 -1.42069965e-10 1.42069965e-10]
[ 9.67353361e-10 1.42069965e-10 -1.42069965e-10]
[-9.67353361e-10 1.42069965e-10 1.42069965e-10]
[-1.42069965e-10 -1.42069965e-10 -9.67353361e-10]
[-1.42069965e-10 1.42069965e-10 9.67353361e-10]
[ 9.67353361e-10 -1.42069965e-10 1.42069965e-10]
[ 9.67353361e-10 1.42069965e-10 -1.42069965e-10]
[-1.42069965e-10 -9.67353361e-10 -1.42069965e-10]
[-1.42069965e-10 9.67353361e-10 1.42069965e-10]
[ 1.42069965e-10 1.42069965e-10 9.67353361e-10]
[ 1.42069965e-10 -1.42069965e-10 -9.67353361e-10]
[ 1.42069965e-10 -9.67353361e-10 -1.42069965e-10]
[ 1.42069965e-10 9.67353361e-10 1.42069965e-10]
[-9.67353361e-10 1.42069965e-10 -1.42069965e-10]
[-9.67353361e-10 -1.42069965e-10 1.42069965e-10]
[-1.42069965e-10 -1.42069965e-10 9.67353361e-10]
[-1.42069965e-10 1.42069965e-10 -9.67353361e-10]
[ 9.67353361e-10 -1.42069965e-10 -1.42069965e-10]
[ 9.67353361e-10 1.42069965e-10 1.42069965e-10]
[-1.42069965e-10 9.67353361e-10 -1.42069965e-10]
[-1.42069965e-10 -9.67353361e-10 1.42069965e-10]
[ 1.42069965e-10 1.42069965e-10 -9.67353361e-10]
[ 1.42069965e-10 -1.42069965e-10 9.67353361e-10]
[ 1.42069965e-10 9.67353361e-10 -1.42069965e-10]
[ 1.42069965e-10 -9.67353361e-10 1.42069965e-10]
[-9.67353361e-10 -1.42069965e-10 -1.42069965e-10]
[-9.67353361e-10 1.42069965e-10 1.42069965e-10]
[ 1.42069965e-10 -1.42069965e-10 9.67353361e-10]
[-9.67353361e-10 -1.42069965e-10 -1.42069965e-10]
[ 1.42069965e-10 9.67353361e-10 -1.42069965e-10]
[-1.42069965e-10 1.42069965e-10 -9.67353361e-10]
[-1.42069965e-10 -9.67353361e-10 1.42069965e-10]
[ 9.67353361e-10 1.42069965e-10 1.42069965e-10]
[-1.42069965e-10 -1.42069965e-10 9.67353361e-10]
[ 9.67353361e-10 -1.42069965e-10 -1.42069965e-10]
[-1.42069965e-10 9.67353361e-10 -1.42069965e-10]
[ 1.42069965e-10 1.42069965e-10 -9.67353361e-10]
[ 1.42069965e-10 -9.67353361e-10 1.42069965e-10]
[-9.67353361e-10 1.42069965e-10 1.42069965e-10]]
stress = [-3.79163102e-11 -3.79163102e-11 -3.79163102e-11 1.08111599e-26
3.07675644e-34 -2.52757013e-50]
energy per atom = -1.9289692306976978
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0