Model name: model_name=SNAP_LiHuChen_2018_NiMo__MO_468686727341_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.17069959640503
cohesive_energy=3.1278918027780973
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -7.72422066253157 eV

========================================
theta = 0.0
========================================

Energy: 0.009651882778384286
Energy: 0.3322344079368172
Energy: 0.009651882778384286
Energy: 0.3322344079368172
Energy: 0.009651882778384286
Energy: 0.3322344079368172
Energy: 0.009651882778384286
Energy: 0.0107466530524192
Energy: 0.6721340961851746
Energy: 0.0107466530524192
Energy: 0.6721340961851746
Energy: 0.0107466530524192
Energy: 0.6721340961851746
Energy: 0.0107466530524192
Energy: 0.010014185199591612
Energy: 0.7155338333375252
Energy: 0.010014185199591612
Energy: 0.7155338333375252
Energy: 0.010014185199591612
Energy: 0.7155338333375252
Energy: 0.010014185199591612
Energy: 0.0107466530524192
Energy: 0.6721340961851746
Energy: 0.0107466530524192
Energy: 0.6721340961851746
Energy: 0.0107466530524192
Energy: 0.6721340961851746
Energy: 0.0107466530524192
Energy: 0.009651882778384286
Energy: 0.3322344079368172
Energy: 0.009651882778384286
Energy: 0.3322344079368172
Energy: 0.009651882778384286
Energy: 0.3322344079368172
Energy: 0.009651882778384286
Energy: 0.0107466530524192
Energy: 0.6721340961851746
Energy: 0.0107466530524192
Energy: 0.6721340961851746
Energy: 0.0107466530524192
Energy: 0.6721340961851746
Energy: 0.0107466530524192

minimum gb energy = 0.009651882778384286 eV
minimum distance =  2.74099753299677 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 2.3936117905396865
Energy: 2.8913617241552045
Energy: 2.3936117905396865
Energy: 2.8913617241552045
Energy: 2.3936117905396865
Energy: 2.8913617241552045
Energy: 2.3936117905396865
Energy: 2.3280268450673702
Energy: 2.2919547540867167
Energy: 2.328026845071346
Energy: 2.2919547540867167
Energy: 2.328026845071346
Energy: 2.2919547540867167
Energy: 2.3280268450673702
Energy: 2.2635802720769176
Energy: 2.276382508243969
Energy: 2.2635802720769176
Energy: 2.276382508243969
Energy: 2.2635802720769176
Energy: 2.276382508243969
Energy: 2.2635802720769176
Energy: 2.2151331777971834
Energy: 2.427669792404716
Energy: 2.2151331777971834
Energy: 2.427669792404716
Energy: 2.2151331777971834
Energy: 2.427669792404716
Energy: 2.2151331777971834
Energy: 2.2147472768789913
Energy: 2.37731600018028
Energy: 2.2147472768789913
Energy: 2.37731600018028
Energy: 2.2147472768789913
Energy: 2.37731600018028
Energy: 2.2147472768789913
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Energy: 2.243109631386657
Energy: 2.4908585265830343
Energy: 2.243109631386657
Energy: 2.4908585265830343
Energy: 2.243109631386657
Energy: 2.345471788799568
Energy: 2.3640232149969465
Energy: 2.3454717887955923
Energy: 2.3640232149969465
Energy: 2.345471788799568
Energy: 2.3640232149969465
Energy: 2.3454717887955923
Energy: 2.31150717061178
Energy: 2.442314937159286
Energy: 2.31150717061178
Energy: 2.442314937159286
Energy: 2.31150717061178
Energy: 2.442314937159286
Energy: 2.31150717061178
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Energy: 2.4359019261687345
Energy: 2.3131716213806963
Energy: 2.4359019261687345
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Energy: 2.195739861978172
Energy: 2.246521884717821
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Energy: 2.246521884717821
Energy: 2.195739861978172
Energy: 2.246521884717821
Energy: 2.3122505444012007
Energy: 2.289256106452658
Energy: 2.3122505444012007
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Energy: 2.3122505444012007
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Energy: 2.296842344781107
Energy: 2.304658080740423
Energy: 2.296842344781107
Energy: 2.304658080740423
Energy: 2.3842738566436577
Energy: 2.3915278612474715
Energy: 2.3842738566436577
Energy: 2.3915278612474715
Energy: 2.3842738566436577
Energy: 2.3915278612474715
Energy: 2.3842738566436577
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Energy: 2.329160135247285
Energy: 2.291217124529898
Energy: 2.329160135247285
Energy: 2.291217124529898
Energy: 2.2271780802453303
Energy: 2.3871568076800704
Energy: 2.2271780802453303
Energy: 2.3871568076800704
Energy: 2.2271780802453303
Energy: 2.3871568076800704
Energy: 2.2271780802453303
Energy: 2.2295336700699506
Energy: 2.292108432815106
Energy: 2.2295336700699506
Energy: 2.29210843281113
Energy: 2.2295336700699506
Energy: 2.292108432815106
Energy: 2.2295336700699506
Energy: 2.3304080820137343
Energy: 2.416622702777811
Energy: 2.3304080820137343
Energy: 2.416622702777811
Energy: 2.3304080820137343
Energy: 2.416622702777811
Energy: 2.3304080820137343
Energy: 2.2517300246160175
Energy: 2.340864948884248
Energy: 2.2517300246160175
Energy: 2.340864948884248
Energy: 2.2517300246160175
Energy: 2.340864948884248
Energy: 2.2517300246160175
Energy: 2.363369628766106
Energy: 2.447058252748569
Energy: 2.363369628766106
Energy: 2.447058252748569
Energy: 2.363369628766106
Energy: 2.447058252748569
Energy: 2.363369628766106
Energy: 2.4094686589067598
Energy: 2.530546398151484
Energy: 2.4094686589067598
Energy: 2.530546398151484
Energy: 2.4094686589107366
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Energy: 2.3007878505388235
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Energy: 2.2252784537131576
Energy: 2.3007878505388235
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Energy: 2.290253406000475
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Energy: 2.290253406000475
Energy: 2.249770701866458
Energy: 2.290253406000475
Energy: 2.249770701866458
Energy: 2.290253406000475
Energy: 2.2640140751068585
Energy: 2.4262409750767153
Energy: 2.2640140751068585
Energy: 2.4262409750767153
Energy: 2.2640140751068585
Energy: 2.4262409750767153
Energy: 2.2640140751068585
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Energy: 2.391559134567701
Energy: 2.281320328248733
Energy: 2.391559134567701
Energy: 2.28132032825271
Energy: 2.391559134567701
Energy: 2.28132032825271
Energy: 2.391365270669827
Energy: 2.497457276560299
Energy: 2.391365270673803
Energy: 2.497457276560299
Energy: 2.391365270669827
Energy: 2.497457276560299
Energy: 2.391365270669827
Energy: 2.4756028852953613
Energy: 2.5579073280275817
Energy: 2.4756028852953613
Energy: 2.5579073280275817
Energy: 2.4756028852953613
Energy: 2.5579073280275817
Energy: 2.4756028852953613
Energy: 2.2414102405700222
Energy: 2.382249958906429
Energy: 2.2414102405700222
Energy: 2.382249958906429
Energy: 2.2414102405700222
Energy: 2.382249958906429
Energy: 2.2414102405700222
Energy: 2.4806744692278757
Energy: 2.228429166106694
Energy: 2.4806744692278757
Energy: 2.228429166106694
Energy: 2.4806744692278757
Energy: 2.228429166106694
Energy: 2.4806744692278757
Energy: 2.256113225223316
Energy: 2.234480655210019
Energy: 2.256113225223316
Energy: 2.234480655210019
Energy: 2.256113225223316
Energy: 2.234480655210019
Energy: 2.256113225223316
Energy: 2.382857359060463
Energy: 2.5463296253021204
Energy: 2.382857359060463
Energy: 2.5463296253021204
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Energy: 2.5463296253021204
Energy: 2.382857359060463
Energy: 2.548547358656613
Energy: 2.6258680498938727
Energy: 2.5485473586605893
Energy: 2.6258680498938727
Energy: 2.5485473586605893
Energy: 2.6258680498938727
Energy: 2.548547358656613
Energy: 2.2834392946074136
Energy: 2.3025509180716295
Energy: 2.2834392946074136
Energy: 2.3025509180716295
Energy: 2.2834392946074136
Energy: 2.3025509180716295
Energy: 2.2834392946074136
Energy: 2.266086380124605
Energy: 2.325165478514277
Energy: 2.266086380124605
Energy: 2.325165478514277
Energy: 2.266086380124605
Energy: 2.325165478514277
Energy: 2.266086380124605
Energy: 2.2238620865263163
Energy: 2.4337899921255866
Energy: 2.2238620865263163
Energy: 2.4337899921255866
Energy: 2.2238620865263163
Energy: 2.4337899921255866
Energy: 2.2238620865263163
Energy: 2.2147172227193925
Energy: 2.389036486142579
Energy: 2.2147172227193925
Energy: 2.389036486142579
Energy: 2.2147172227193925
Energy: 2.389036486142579
Energy: 2.2147172227193925
Energy: 2.344228228734316
Energy: 2.404931745716558
Energy: 2.344228228734316
Energy: 2.404931745716558
Energy: 2.344228228734316
Energy: 2.404931745716558
Energy: 2.344228228734316
Energy: 2.401780725201682
Energy: 2.4925608276826283
Energy: 2.401780725201682
Energy: 2.4925608276826283
Energy: 2.401780725201682
Energy: 2.4925608276826283
Energy: 2.401780725201682
Energy: 2.311425749857529
Energy: 2.429628200832148
Energy: 2.311425749857529
Energy: 2.429628200832148
Energy: 2.311425749857529
Energy: 2.429628200832148
Energy: 2.311425749857529
Energy: 2.3143568416010583
Energy: 2.4209379789910925
Energy: 2.3143568416010583
Energy: 2.4209379789910925
Energy: 2.3143568416010583
Energy: 2.4209379789910925
Energy: 2.3143568416010583
Energy: 2.2474920914992094
Energy: 2.1867686611742703
Energy: 2.2474920914992094
Energy: 2.1867686611742703
Energy: 2.2474920914992094
Energy: 2.1867686611742703
Energy: 2.2474920914992094
Energy: 2.367955342511319
Energy: 2.2294409041500445
Energy: 2.367955342511319
Energy: 2.2294409041500445
Energy: 2.367955342511319
Energy: 2.2294409041500445
Energy: 2.367955342511319
Energy: 2.304578819826654
Energy: 2.6349259686354336
Energy: 2.304578819826654
Energy: 2.6349259686354336
Energy: 2.304578819826654
Energy: 2.6349259686354336
Energy: 2.304578819826654
Energy: 2.411383759335129
Energy: 2.405088134563043
Energy: 2.411383759335129
Energy: 2.405088134563043
Energy: 2.411383759335129
Energy: 2.405088134563043
Energy: 2.411383759335129
Energy: 2.29458734004009
Energy: 2.3288656446223346
Energy: 2.29458734004009
Energy: 2.3288656446223346
Energy: 2.29458734004009
Energy: 2.3288656446223346
Energy: 2.29458734004009
Energy: 2.227027168382119
Energy: 2.3868390287930796
Energy: 2.227027168382119
Energy: 2.3868390287930796
Energy: 2.227027168382119
Energy: 2.3868390287930796
Energy: 2.227027168382119
Energy: 2.229692682080774
Energy: 2.31341635436502
Energy: 2.229692682080774
Energy: 2.31341635436502
Energy: 2.229692682080774
Energy: 2.31341635436502
Energy: 2.229692682080774
Energy: 2.2431262590405954
Energy: 2.281465442746845
Energy: 2.2431262590405954
Energy: 2.281465442746845
Energy: 2.2431262590405954
Energy: 2.281465442746845
Energy: 2.2431262590405954

minimum gb energy = 2.1867686611742703 eV
minimum distance =  2.37585918871231 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 2.5539247312639364
Energy: 2.423337789631311
Energy: 2.434473140441939
Energy: 2.423337789631311
Energy: 2.5539247312639364
Energy: 2.423337789631311
Energy: 2.434473140441939
Energy: 2.4302522248613894
Energy: 2.3605655727689165
Energy: 2.358087888224726
Energy: 2.3594781544048726
Energy: 2.4302522248613894
Energy: 2.3605655727689165
Energy: 2.358087888224726
Energy: 2.3263190460200622
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Energy: 2.326159051941315
Energy: 2.3668859784551652
Energy: 2.3263190460200622
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Energy: 2.326159051941315
Energy: 2.324524838307427
Energy: 2.449712973794552
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Energy: 2.44984546677982
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Energy: 2.449712973794552
Energy: 2.324524838307427
Energy: 2.3255728238664277
Energy: 2.467014294412545
Energy: 2.3255728238664277
Energy: 2.4666747476436663
Energy: 2.3255728238664277
Energy: 2.467014294412545
Energy: 2.3255728238664277
Energy: 2.4803528845368334
Energy: 2.5296588019976776
Energy: 2.4803528845368334
Energy: 2.5296588019976776
Energy: 2.4803528845368334
Energy: 2.5296588019976776
Energy: 2.4803528845368334
Energy: 2.478089161831462
Energy: 2.5109075225863844
Energy: 2.478089161831462
Energy: 2.5109075225863844
Energy: 2.478089161831462
Energy: 2.5109075225863844
Energy: 2.478089161831462
Energy: 2.4288494563595178
Energy: 2.557406725566053
Energy: 2.4285899841710714
Energy: 2.557535243469019
Energy: 2.4288494563595178
Energy: 2.557406725566053
Energy: 2.4285899841710714
Energy: 2.4297572216272516
Energy: 2.5589312330269975
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Energy: 2.5583114218792313
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Energy: 2.447681043820001
Energy: 2.3742020002686512
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Energy: 2.373008992790672
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Energy: 2.462168822263669
Energy: 2.373008992790672
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Energy: 2.3217003680012733
Energy: 2.3045340095469857
Energy: 2.432592728105404
Energy: 2.3220847536434404
Energy: 2.357764222432074
Energy: 2.3220847536434404
Energy: 2.432592728105404
Energy: 2.3220847536434404
Energy: 2.357764222432074
Energy: 2.5539247312639364
Energy: 2.423337789631311
Energy: 2.434473140441939
Energy: 2.423337789631311
Energy: 2.5539247312639364
Energy: 2.423337789631311
Energy: 2.434473140441939
Energy: 2.4302522248613894
Energy: 2.3605655727689165
Energy: 2.358087888220233
Energy: 2.359478154409366
Energy: 2.4302522248613894
Energy: 2.3605655727689165
Energy: 2.358087888224726
Energy: 2.3263190460200622
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Energy: 2.326159051941315
Energy: 2.3668859784551652
Energy: 2.3263190460200622
Energy: 2.3671404349315313
Energy: 2.326159051941315
Energy: 2.324524838307427
Energy: 2.449712973794552
Energy: 2.324524838307427
Energy: 2.44984546677982
Energy: 2.324524838307427
Energy: 2.449712973794552
Energy: 2.324524838307427
Energy: 2.3255728238664277
Energy: 2.467014294412545
Energy: 2.3255728238664277
Energy: 2.4666747476436663
Energy: 2.3255728238664277
Energy: 2.467014294412545
Energy: 2.3255728238664277
Energy: 2.4803528845368334
Energy: 2.5296588019976776
Energy: 2.4803528845368334
Energy: 2.5296588019976776
Energy: 2.4803528845368334
Energy: 2.5296588019976776
Energy: 2.4803528845368334
Energy: 2.478089161831462
Energy: 2.5109075225863844
Energy: 2.478089161831462
Energy: 2.5109075225863844
Energy: 2.478089161831462
Energy: 2.5109075225863844
Energy: 2.478089161831462
Energy: 2.4288494563595178
Energy: 2.557406725566053
Energy: 2.4285899841710714
Energy: 2.557535243469019
Energy: 2.4288494563550045
Energy: 2.557406725566053
Energy: 2.4285899841710714
Energy: 2.4297572216272516
Energy: 2.5589312330269975
Energy: 2.4296580377662584
Energy: 2.5583114218792313
Energy: 2.4297572216272516
Energy: 2.5589312330269975
Energy: 2.4296580377662584
Energy: 2.3730342394119437
Energy: 2.447681043820001
Energy: 2.3742020002686512
Energy: 2.447681043820001
Energy: 2.3730342394119437
Energy: 2.447681043820001
Energy: 2.3742020002686512
Energy: 2.37295133767821
Energy: 2.462168822263669
Energy: 2.373008992790672
Energy: 2.462168822263669
Energy: 2.37295133767821
Energy: 2.462168822263669
Energy: 2.373008992790672
Energy: 2.3045340095469857
Energy: 2.3217003680012733
Energy: 2.3045340095469857
Energy: 2.3217003680012733
Energy: 2.3045340095469857
Energy: 2.3217003680012733
Energy: 2.3045340095469857
Energy: 2.432592728105404
Energy: 2.3220847536434404
Energy: 2.357764222432074
Energy: 2.3220847536434404
Energy: 2.432592728105404
Energy: 2.3220847536434404
Energy: 2.357764222432074
Energy: 2.5539247312639364
Energy: 2.423337789631311
Energy: 2.434473140441939
Energy: 2.423337789631311
Energy: 2.5539247312639364
Energy: 2.423337789631311
Energy: 2.434473140441939
Energy: 2.4302522248613894
Energy: 2.3605655727689165
Energy: 2.358087888224726
Energy: 2.359478154409366
Energy: 2.4302522248613894
Energy: 2.3605655727689165
Energy: 2.358087888224726
Energy: 2.3263190460200622
Energy: 2.3671404349315313
Energy: 2.326159051941315
Energy: 2.3668859784551652
Energy: 2.3263190460200622
Energy: 2.3671404349315313
Energy: 2.326159051941315
Energy: 2.324524838307427
Energy: 2.449712973794552
Energy: 2.324524838307427
Energy: 2.44984546677982
Energy: 2.324524838307427
Energy: 2.449712973794552
Energy: 2.324524838307427
Energy: 2.3255728238664277
Energy: 2.467014294412545
Energy: 2.3255728238664277
Energy: 2.4666747476436663
Energy: 2.3255728238664277
Energy: 2.467014294412545
Energy: 2.3255728238664277
Energy: 2.4803528845368334
Energy: 2.5296588019976776
Energy: 2.4803528845368334
Energy: 2.5296588019976776
Energy: 2.4803528845368334
Energy: 2.5296588019976776
Energy: 2.4803528845368334
Energy: 2.478089161831462
Energy: 2.5109075225863844
Energy: 2.478089161831462
Energy: 2.5109075225863844
Energy: 2.478089161831462
Energy: 2.5109075225863844
Energy: 2.478089161831462
Energy: 2.4288494563595178
Energy: 2.557406725566053
Energy: 2.4285899841710714
Energy: 2.557535243469019
Energy: 2.4288494563595178
Energy: 2.557406725566053
Energy: 2.4285899841710714
Energy: 2.4297572216272516
Energy: 2.5589312330269975
Energy: 2.4296580377662584
Energy: 2.5583114218792313
Energy: 2.4297572216272516
Energy: 2.5589312330269975
Energy: 2.4296580377662584
Energy: 2.3730342394119437
Energy: 2.447681043820001
Energy: 2.3742020002686512
Energy: 2.447681043820001
Energy: 2.3730342394119437
Energy: 2.447681043820001
Energy: 2.3742020002686512
Energy: 2.37295133767821
Energy: 2.462168822263669
Energy: 2.373008992790672
Energy: 2.462168822263669
Energy: 2.37295133767821
Energy: 2.462168822263669
Energy: 2.373008992790672
Energy: 2.3045340095469857
Energy: 2.3217003680012733
Energy: 2.3045340095469857
Energy: 2.3217003680012733
Energy: 2.3045340095469857
Energy: 2.3217003680012733
Energy: 2.3045340095469857
Energy: 2.432592728105404
Energy: 2.3220847536434404
Energy: 2.357764222432074
Energy: 2.3220847536434404
Energy: 2.432592728105404
Energy: 2.3220847536434404
Energy: 2.357764222432074
Energy: 2.5539247312639364
Energy: 2.423337789631311
Energy: 2.434473140441939
Energy: 2.423337789631311
Energy: 2.5539247312639364
Energy: 2.423337789631311
Energy: 2.434473140441939
Energy: 2.4302522248613894
Energy: 2.3605655727689165
Energy: 2.358087888224726
Energy: 2.359478154409366
Energy: 2.4302522248613894
Energy: 2.3605655727689165
Energy: 2.358087888224726

minimum gb energy = 2.3045340095469857 eV
minimum distance =  2.42242477092491 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 2.3260968333428336
Energy: 2.402553414876142
Energy: 2.4053416928139066
Energy: 2.5371291181586826
Energy: 2.3260968333428336
Energy: 2.402553414876142
Energy: 2.4053416928133857
Energy: 2.358352152183683
Energy: 2.330012035829332
Energy: 2.39281506509631
Energy: 2.3466596675293365
Energy: 2.358352152183683
Energy: 2.330012035829332
Energy: 2.39281506509631
Energy: 2.395589976588571
Energy: 2.374026388374266
Energy: 2.395721931187131
Energy: 2.374093786690036
Energy: 2.395589976588571
Energy: 2.374026388374266
Energy: 2.395721931187131
Energy: 2.6565910979604235
Energy: 2.4516673277900933
Energy: 2.4477416522476823
Energy: 2.4516673277900933
Energy: 2.6565910979604235
Energy: 2.4516673277900933
Energy: 2.4477416522476823
Energy: 2.494874099501948
Energy: 2.5259021671283053
Energy: 2.4957039204492304
Energy: 2.5259021671283053
Energy: 2.494874099501948
Energy: 2.5259021671283053
Energy: 2.4957039204492304
Energy: 2.282310720125625
Energy: 2.5202869632534184
Energy: 2.282310720125625
Energy: 2.5186188712196693
Energy: 2.282310720125625
Energy: 2.5202869632534184
Energy: 2.282310720125625
Energy: 2.293124364398978
Energy: 2.5185692552297763
Energy: 2.293124364398978
Energy: 2.519044473806681
Energy: 2.293124364398978
Energy: 2.5185692552297763
Energy: 2.293124364398978
Energy: 2.511305924933673
Energy: 2.471993232518327
Energy: 2.4168810485872543
Energy: 2.471993232518327
Energy: 2.511305924933673
Energy: 2.471993232518327
Energy: 2.4168810485872543
Energy: 2.511158783227996
Energy: 2.46678295928765
Energy: 2.416913798309012
Energy: 2.46678295928765
Energy: 2.511158783227996
Energy: 2.46678295928765
Energy: 2.416913798309012
Energy: 2.3499527436586374
Energy: 2.610995606884736
Energy: 2.343331684456266
Energy: 2.6109938173115146
Energy: 2.3499527436586374
Energy: 2.610995606884736
Energy: 2.343331684456266
Energy: 2.3544222355836077
Energy: 2.524670564333509
Energy: 2.3543582169529507
Energy: 2.524608370775092
Energy: 2.354422235583087
Energy: 2.524670564333509
Energy: 2.3543582169529507
Energy: 2.488770282784544
Energy: 2.525144260994769
Energy: 2.488770282784544
Energy: 2.5253185554696933
Energy: 2.488770282784544
Energy: 2.525144260994769
Energy: 2.488770282784544
Energy: 2.4495686047997
Energy: 2.450844927489732
Energy: 2.4495686047997
Energy: 2.450844927489732
Energy: 2.4495686047997
Energy: 2.450844927489732
Energy: 2.4495686047997
Energy: 2.3059378402002255
Energy: 2.2824203138697863
Energy: 2.3059378402002255
Energy: 2.2824203138697863
Energy: 2.3059378402002255
Energy: 2.2824203138697863
Energy: 2.3059378402002255
Energy: 2.476439798759212
Energy: 2.5331314307666264
Energy: 2.476439798758691
Energy: 2.533155486193704
Energy: 2.476439798759212
Energy: 2.5331314307666264
Energy: 2.476439798759212
Energy: 2.326028227524029
Energy: 2.4028228062795614
Energy: 2.326028227524029
Energy: 2.4028228062795614
Energy: 2.326028227524029
Energy: 2.4028228062795614
Energy: 2.326028227524029
Energy: 2.4255586750632374
Energy: 2.356829208350667
Energy: 2.4255701323572803
Energy: 2.356716808910184
Energy: 2.4255586750632374
Energy: 2.356829208350667
Energy: 2.4255701323572803
Energy: 2.382402984954058
Energy: 2.462231694827475
Energy: 2.3824080041896094
Energy: 2.461638473604075
Energy: 2.3824029849535364
Energy: 2.462231694827475
Energy: 2.3824080041896094
Energy: 2.5209215687783466
Energy: 2.6689224486650365
Energy: 2.5209215687783466
Energy: 2.6707977212412124
Energy: 2.5209215687783466
Energy: 2.6689224486650365
Energy: 2.5209215687783466
Energy: 2.4978253835908917
Energy: 2.614096359418297
Energy: 2.4978307812435188
Energy: 2.614113181939833
Energy: 2.497825383591413
Energy: 2.614096359418297
Energy: 2.4978307812435188
Energy: 2.342393312891829
Energy: 2.2817288057005123
Energy: 2.342393312891829
Energy: 2.2817288057005123
Energy: 2.342393312891829
Energy: 2.2817288057005123
Energy: 2.342393312891829
Energy: 2.34245618078985
Energy: 2.4747514063214657
Energy: 2.34245618078985
Energy: 2.4746897151302703
Energy: 2.34245618078985
Energy: 2.4747514063214657
Energy: 2.34245618078985
Energy: 2.4075290701164445
Energy: 2.402393795765237
Energy: 2.4874891114496536
Energy: 2.520865902106026
Energy: 2.4075290701164445
Energy: 2.402393795765237
Energy: 2.4874891114496536
Energy: 2.437740849097543
Energy: 2.5289430429982542
Energy: 2.5340906801094154
Energy: 2.6457422927424035
Energy: 2.437740849097543
Energy: 2.5289430429982542
Energy: 2.5340906801094154
Energy: 2.4022562194172132
Energy: 2.384228925653319
Energy: 2.4024150118586354
Energy: 2.384848542948865
Energy: 2.4022562194172132
Energy: 2.384228925653319
Energy: 2.4024150118586354
Energy: 2.5658002657866192
Energy: 2.4757715504652036
Energy: 2.5661744191384175
Energy: 2.4732638304140404
Energy: 2.5658002657866192
Energy: 2.4757715504652036
Energy: 2.5661744191384175
Energy: 2.527000086957844
Energy: 2.529386739517097
Energy: 2.526955746550902
Energy: 2.529386739517097
Energy: 2.527000086957844
Energy: 2.529386739517097
Energy: 2.526955746550902
Energy: 2.4197981799459463
Energy: 2.5248310572839134
Energy: 2.4197981799459463
Energy: 2.5236385861242305
Energy: 2.4197981799459463
Energy: 2.5248310572839134
Energy: 2.4197981799459463
Energy: 2.2929638000093435
Energy: 2.3724486770053574
Energy: 2.2929638000093435
Energy: 2.3724486770053574
Energy: 2.2929638000093435
Energy: 2.3724486770053574
Energy: 2.2929638000093435
Energy: 2.5116602947091295
Energy: 2.3823933367763686
Energy: 2.4172010405541937
Energy: 2.382273368340397
Energy: 2.5116602947091295
Energy: 2.3823933367763686
Energy: 2.417201040553673
Energy: 2.5118649618980746
Energy: 2.4680407070395645
Energy: 2.490059964513171
Energy: 2.4680407070390435
Energy: 2.5118649618980746
Energy: 2.4680407070390435
Energy: 2.490059964513171
Energy: 2.343989506109114
Energy: 2.515982555250373
Energy: 2.343741555755968
Energy: 2.516057671120635
Energy: 2.3439895061096347
Energy: 2.515982555250373
Energy: 2.3437415557554466
Energy: 2.358017671444455
Energy: 2.381391413780225
Energy: 2.35773974252482
Energy: 2.3816601486534634
Energy: 2.358017671444455
Energy: 2.381391413780225
Energy: 2.35773974252482
Energy: 2.5402533154465767
Energy: 2.5830539038860616
Energy: 2.5402533154465767
Energy: 2.59013139902808
Energy: 2.5402533154465767
Energy: 2.583053903886583
Energy: 2.5402533154470976
Energy: 2.6101954135499117
Energy: 2.577941672884232
Energy: 2.6095923690701257
Energy: 2.5779391227169506
Energy: 2.6101954135499117
Energy: 2.577941672884232
Energy: 2.6095923690701257
Energy: 2.3098728130205046
Energy: 2.316448354022516
Energy: 2.3098728130205046
Energy: 2.316448354022516
Energy: 2.3098728130205046
Energy: 2.316448354023037
Energy: 2.3098728130205046

minimum gb energy = 2.2817288057005123 eV
minimum distance =  2.37699262988941 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 2.3562575255392892
Energy: 2.4394246980397045
Energy: 2.3562575255392892
Energy: 2.4394246980397045
Energy: 2.3562575255392892
Energy: 2.4394246980397045
Energy: 2.3562575255392892
Energy: 2.579106234646102
Energy: 2.3488036472315805
Energy: 2.579106234646102
Energy: 2.348808643264664
Energy: 2.579106234646102
Energy: 2.3488036472315805
Energy: 2.579106234646102
Energy: 2.403642909136827
Energy: 2.392689520387279
Energy: 2.403646843736211
Energy: 2.392689073241487
Energy: 2.4036429091374423
Energy: 2.392689520387279
Energy: 2.403646843736211
Energy: 2.633819401359986
Energy: 2.348497792175265
Energy: 2.633819401359371
Energy: 2.348996312408324
Energy: 2.633819401359986
Energy: 2.348497792175265
Energy: 2.633819401359371
Energy: 2.4933704286120704
Energy: 2.3241203270108
Energy: 2.4934004063480804
Energy: 2.3240881516396397
Energy: 2.4933704286120704
Energy: 2.3241203270108
Energy: 2.4934004063480804
Energy: 2.494123396754522
Energy: 2.323096482707163
Energy: 2.494123396754522
Energy: 2.323096482707163
Energy: 2.494123396754522
Energy: 2.323096482707163
Energy: 2.494123396754522
Energy: 2.3589010848935694
Energy: 2.3500431171809737
Energy: 2.3589010848935694
Energy: 2.3500431171809737
Energy: 2.3589010848935694
Energy: 2.3500431171809737
Energy: 2.3589010848935694
Energy: 2.4021193109721546
Energy: 2.360900736729389
Energy: 2.4021193109721546
Energy: 2.360900736729389
Energy: 2.4021193109721546
Energy: 2.360900736729389
Energy: 2.4021193109721546
Energy: 2.4565574973250754
Energy: 2.355704713005323
Energy: 2.4565574973250754
Energy: 2.355704713005323
Energy: 2.4565574973250754
Energy: 2.355704713005323
Energy: 2.4565574973250754
Energy: 2.4498116284589533
Energy: 2.437703153036282
Energy: 2.3711773656592543
Energy: 2.437703153036282
Energy: 2.4498116284589533
Energy: 2.437703153036282
Energy: 2.3711773656592543
Energy: 2.421067348371899
Energy: 2.344773623530643
Energy: 2.3592277541832916
Energy: 2.3604984186829667
Energy: 2.421067348372514
Energy: 2.344773623530643
Energy: 2.3592277541832916
Energy: 2.403928291720133
Energy: 2.3603359005353273
Energy: 2.4030510988259226
Energy: 2.3608295080428894
Energy: 2.403928291720133
Energy: 2.3603359005353273
Energy: 2.4030510988259226
Energy: 2.642701990452864
Energy: 2.343942202128559
Energy: 2.6608940710907074
Energy: 2.3438945971203404
Energy: 2.6427019904534785
Energy: 2.343942202128559
Energy: 2.6608940710907074
Energy: 2.391455402770427
Energy: 2.322352425870469
Energy: 2.391455402770427
Energy: 2.3221149018035665
Energy: 2.391455402770427
Energy: 2.322352425870469
Energy: 2.391455402770427
Energy: 2.368270101622598
Energy: 2.4192374476654863
Energy: 2.3679662392740246
Energy: 2.4192374476654863
Energy: 2.368270101622598
Energy: 2.4192374476654863
Energy: 2.3679662392740246
Energy: 2.365911598812857
Energy: 2.32220956389226
Energy: 2.365911598812857
Energy: 2.32220956389226
Energy: 2.365911598812857
Energy: 2.32220956389226
Energy: 2.365911598812857
Energy: 2.3742522229126237
Energy: 2.349522117093114
Energy: 2.3742522229126237
Energy: 2.349522117093114
Energy: 2.3742522229126237
Energy: 2.349522117093114
Energy: 2.3742522229126237
Energy: 2.4024366108015047
Energy: 2.361049265854692
Energy: 2.4024366108015047
Energy: 2.361049265854692
Energy: 2.4024366108015047
Energy: 2.361049265854692
Energy: 2.4024366108015047
Energy: 2.5775270948347857
Energy: 2.4104772393731264
Energy: 2.5775270948347857
Energy: 2.4105549480418444
Energy: 2.5775270948347857
Energy: 2.4104772393737415
Energy: 2.5775270948347857
Energy: 2.37122304720436
Energy: 2.438060325184739
Energy: 2.37122304720436
Energy: 2.438060325184739
Energy: 2.37122304720436
Energy: 2.438060325184739
Energy: 2.37122304720436
Energy: 2.5597124169314243
Energy: 2.3489498349258087
Energy: 2.5597227589683267
Energy: 2.3489579092462276
Energy: 2.5597124169314243
Energy: 2.3489498349258087
Energy: 2.5597227589683267
Energy: 2.4028792726943253
Energy: 2.3613782048748737
Energy: 2.4028890034551282
Energy: 2.361388401040314
Energy: 2.4028792726943253
Energy: 2.3613782048748737
Energy: 2.4028890034551282
Energy: 2.724422895618702
Energy: 2.356070419649569
Energy: 2.724422895618702
Energy: 2.3560616170815836
Energy: 2.724422895618702
Energy: 2.3560704196489546
Energy: 2.724422895618702
Energy: 2.324520350547746
Energy: 2.3227546996095274
Energy: 2.325104460552805
Energy: 2.322750847678989
Energy: 2.324520350547746
Energy: 2.3227546996095274
Energy: 2.32510446055342
Energy: 2.4937232292408824
Energy: 2.3239500601094445
Energy: 2.4937232292408824
Energy: 2.3239500601094445
Energy: 2.4937232292408824
Energy: 2.3239500601094445
Energy: 2.4937232292408824
Energy: 2.632929125749743
Energy: 2.341284030285736
Energy: 2.6330464654683583
Energy: 2.341284030285736
Energy: 2.632929125749743
Energy: 2.341284030285736
Energy: 2.6330464654683583
Energy: 2.402287596336851
Energy: 2.392708186703061
Energy: 2.402287596336851
Energy: 2.392708186703061
Energy: 2.402287596336851
Energy: 2.392708186703061
Energy: 2.402287596336851
Energy: 2.6254740832654546
Energy: 2.3558308225053404
Energy: 2.5794123731937955
Energy: 2.3558308225053404
Energy: 2.6254740832654546
Energy: 2.3558308225053404
Energy: 2.5794123731937955
Energy: 2.482519389935767
Energy: 2.4394246980397045
Energy: 2.3562575255392892
Energy: 2.4394246980397045
Energy: 2.482519389935767
Energy: 2.4394246980397045
Energy: 2.3562575255392892
Energy: 2.6247950367660997
Energy: 2.346782496693825
Energy: 2.579106234646102
Energy: 2.346698944998756
Energy: 2.6247950367660997
Energy: 2.346782496693825
Energy: 2.579106234646102

minimum gb energy = 2.3221149018035665 eV
minimum distance =  2.39717100511799 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 2.456716566713951
Energy: 2.530447222127483
Energy: 2.4567165667146975
Energy: 2.530447222127483
Energy: 2.4567165667146975
Energy: 2.530447222127483
Energy: 2.4567165667146975
Energy: 2.249233937597523
Energy: 2.3755983894240016
Energy: 2.2492339375967765
Energy: 2.3755983894240016
Energy: 2.249233937597523
Energy: 2.3755983894240016
Energy: 2.2492339375967765
Energy: 2.3920291974294416
Energy: 2.6960878081506774
Energy: 2.3920291974294416
Energy: 2.6960878081506774
Energy: 2.3920291974294416
Energy: 2.696087808149931
Energy: 2.3920291974294416
Energy: 2.5538847941994014
Energy: 2.2975555262381273
Energy: 2.5538847941994014
Energy: 2.2975555262381273
Energy: 2.5538847941986544
Energy: 2.2975555262381273
Energy: 2.5538847941994014
Energy: 2.2469308679888567
Energy: 2.314274795305084
Energy: 2.2469308679888567
Energy: 2.314274795305084
Energy: 2.2469308679888567
Energy: 2.314274795305084
Energy: 2.2469308679888567
Energy: 2.2809540337732206
Energy: 2.248534951316792
Energy: 2.2809540337732206
Energy: 2.248534951316792
Energy: 2.2809540337732206
Energy: 2.248534951316792
Energy: 2.2809540337732206
Energy: 2.2826905937009423
Energy: 2.6880100721636024
Energy: 2.2826905937009423
Energy: 2.6880100721636024
Energy: 2.2826905937009423
Energy: 2.688010072164349
Energy: 2.2826905937009423
Energy: 2.248466653819326
Energy: 2.2847139473595397
Energy: 2.248466653819326
Energy: 2.2847139473595397
Energy: 2.248466653819326
Energy: 2.2847139473595397
Energy: 2.248466653819326
Energy: 2.3350784846656603
Energy: 2.2279390349554555
Energy: 2.3350784846656603
Energy: 2.2279390349554555
Energy: 2.3350784846656603
Energy: 2.2279390349554555
Energy: 2.3350784846656603
Energy: 2.290568381879964
Energy: 2.6417721198480066
Energy: 2.290568381879964
Energy: 2.6417721198480066
Energy: 2.290568381879964
Energy: 2.6417721198480066
Energy: 2.290568381879964
Energy: 2.2470892134678704
Energy: 2.269549329443632
Energy: 2.2470892134678704
Energy: 2.269549329443632
Energy: 2.2470892134678704
Energy: 2.269549329443632
Energy: 2.2470892134678704
Energy: 2.3148261551668434
Energy: 2.336179097430871
Energy: 2.3148261551668434
Energy: 2.336179097430871
Energy: 2.3148261551668434
Energy: 2.336179097430871
Energy: 2.3148261551668434
Energy: 2.2999517128970037
Energy: 2.325302066247708
Energy: 2.2999517128970037
Energy: 2.325302066247708
Energy: 2.2999517128970037
Energy: 2.325302066247708
Energy: 2.2999517128970037
Energy: 2.3679618583245867
Energy: 2.649221810877774
Energy: 2.3679618583245867
Energy: 2.649221810877774
Energy: 2.3679618583245867
Energy: 2.649221810877774
Energy: 2.3679618583245867
Energy: 2.3882774457179488
Energy: 2.3442979114602283
Energy: 2.3882774457179488
Energy: 2.3442979114602283
Energy: 2.3882774457179488
Energy: 2.3442979114602283
Energy: 2.3882774457179488
Energy: 2.430358909289907
Energy: 2.4309052129043303
Energy: 2.430358909289907
Energy: 2.4309052129043303
Energy: 2.430358909289907
Energy: 2.4309052129043303
Energy: 2.430358909289907
Energy: 2.340225369248744
Energy: 2.373828163784223
Energy: 2.340225369248744
Energy: 2.373828163784223
Energy: 2.3402253692494734
Energy: 2.373828163784223
Energy: 2.340225369248744
Energy: 2.281845069496332
Energy: 2.5850376136036375
Energy: 2.281845069496332
Energy: 2.5850376136036375
Energy: 2.281845069496332
Energy: 2.5850376136036375
Energy: 2.281845069496332
Energy: 2.2947851575033056
Energy: 2.2691107624732205
Energy: 2.2947851575033056
Energy: 2.269110762473967
Energy: 2.2947851575033056
Energy: 2.2691107624732205
Energy: 2.2947851575033056
Energy: 2.2492904061641816
Energy: 2.251253848466801
Energy: 2.2492904061641816
Energy: 2.251253848466801
Energy: 2.2492904061641816
Energy: 2.251253848466801
Energy: 2.2492904061641816
Energy: 2.266497680942272
Energy: 2.3643104695727044
Energy: 2.266497680942272
Energy: 2.3643104695727044
Energy: 2.266497680942272
Energy: 2.3643104695727044
Energy: 2.266497680942272
Energy: 2.2138889234354457
Energy: 2.7072988948786163
Energy: 2.2138889234354457
Energy: 2.7072988948786163
Energy: 2.2138889234354457
Energy: 2.7072988948786163
Energy: 2.2138889234354457
Energy: 2.258891328233189
Energy: 2.296962277735672
Energy: 2.258891328233189
Energy: 2.296962277735672
Energy: 2.258891328233189
Energy: 2.296962277735672
Energy: 2.258891328233189
Energy: 2.332467582400317
Energy: 2.2501606340083966
Energy: 2.332467582400317
Energy: 2.2501606340083966
Energy: 2.332467582400317
Energy: 2.2501606340083966
Energy: 2.332467582400317
Energy: 2.287900220262673
Energy: 2.3363396860842185
Energy: 2.287900220262673
Energy: 2.3363396860842185
Energy: 2.287900220262673
Energy: 2.3363396860842185
Energy: 2.287900220262673

minimum gb energy = 2.2138889234354457 eV
minimum distance =  2.37816037553726 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 2.12442214179091
Energy: 2.288490943537876
Energy: 2.12442214179091
Energy: 2.288490943537876
Energy: 2.12442214179091
Energy: 2.288490943537876
Energy: 2.12442214179091
Energy: 2.1042534116199505
Energy: 2.031053760052714
Energy: 2.1042534116199505
Energy: 2.031053760052714
Energy: 2.1042534116199505
Energy: 2.031053760052714
Energy: 2.1042534116199505
Energy: 2.069705157148156
Energy: 2.0485954626286342
Energy: 2.069705157148156
Energy: 2.0485954626286342
Energy: 2.069705157148156
Energy: 2.0485954626286342
Energy: 2.069705157148156
Energy: 2.006610242095561
Energy: 2.108614478660675
Energy: 2.006610242095561
Energy: 2.108614478660675
Energy: 2.006610242095561
Energy: 2.108614478660675
Energy: 2.006610242095561
Energy: 2.017250132538425
Energy: 2.211415718399162
Energy: 2.017250132538425
Energy: 2.211415718399162
Energy: 2.017250132538425
Energy: 2.211415718399162
Energy: 2.017250132538425
Energy: 2.0023914253946917
Energy: 1.9991808010397407
Energy: 2.0023914253946917
Energy: 1.9991808010397407
Energy: 2.0023914253946917
Energy: 1.9991808010397407
Energy: 2.0023914253946917
Energy: 1.9878040803021582
Energy: 2.000216505275943
Energy: 1.9878040803021582
Energy: 2.000216505275943
Energy: 1.9878040803021582
Energy: 2.000216505275943
Energy: 1.9878040803021582
Energy: 1.9840355494706732
Energy: 1.9711544543982407
Energy: 1.9840355494706732
Energy: 1.9711544543982407
Energy: 1.9840355494706732
Energy: 1.9711544543982407
Energy: 1.9840355494706732
Energy: 2.004145232720483
Energy: 2.1296883132381037
Energy: 2.004145232720483
Energy: 2.1296883132381037
Energy: 2.004145232720483
Energy: 2.1296883132381037
Energy: 2.004145232720483
Energy: 2.031027189326546
Energy: 1.9114133299240634
Energy: 2.031027189326546
Energy: 1.9114133299240634
Energy: 2.031027189326546
Energy: 1.9114133299240634
Energy: 2.031027189326546
Energy: 1.9692519669235868
Energy: 1.9628430349148716
Energy: 1.9692519669235868
Energy: 1.9628430349148716
Energy: 1.9692519669235868
Energy: 1.9628430349148716
Energy: 1.9692519669235868
Energy: 1.9360038502114325
Energy: 2.007762777617129
Energy: 1.9360038502114325
Energy: 2.007762777617129
Energy: 1.9360038502114325
Energy: 2.007762777617129
Energy: 1.9360038502114325
Energy: 1.9174051333362345
Energy: 2.1542232723456767
Energy: 1.9174051333362345
Energy: 2.1542232723456767
Energy: 1.9174051333362345
Energy: 2.1542232723456767
Energy: 1.9174051333362345
Energy: 2.0192822359378972
Energy: 1.9112813266505058
Energy: 2.0192822359378972
Energy: 1.9112813266505058
Energy: 2.0192822359378972
Energy: 1.9112813266505058
Energy: 2.0192822359378972
Energy: 2.001414157583627
Energy: 1.9378113286680967
Energy: 2.001414157583627
Energy: 1.9378113286680967
Energy: 2.001414157583627
Energy: 1.9378113286680967
Energy: 2.001414157583627
Energy: 1.9405352016953874
Energy: 2.1153195561453186
Energy: 1.9405352016953874
Energy: 2.1153195561453186
Energy: 1.9405352016953874
Energy: 2.1153195561453186
Energy: 1.9405352016953874
Energy: 1.917583228884961
Energy: 1.9156545778615328
Energy: 1.917583228884961
Energy: 1.9156545778615328
Energy: 1.917583228884961
Energy: 1.9156545778615328
Energy: 1.917583228884961
Energy: 1.9431574804263372
Energy: 1.949197741061802
Energy: 1.9431574804263372
Energy: 1.949197741061802
Energy: 1.9431574804305043
Energy: 1.949197741061802
Energy: 1.9431574804263372
Energy: 1.9694622506367616
Energy: 1.9067186674036019
Energy: 1.9694622506367616
Energy: 1.9067186674036019
Energy: 1.9694622506367616
Energy: 1.9067186674036019
Energy: 1.9694622506367616
Energy: 1.9600232501283545
Energy: 2.085887936143034
Energy: 1.9600232501283545
Energy: 2.085887936143034
Energy: 1.9600232501283545
Energy: 2.085887936143034
Energy: 1.9600232501283545
Energy: 2.054869445666349
Energy: 1.9157955931228223
Energy: 2.054869445666349
Energy: 1.9157955931186557
Energy: 2.054869445666349
Energy: 1.9157955931186557
Energy: 2.054869445666349
Energy: 1.9792843776275615
Energy: 1.9562375589546714
Energy: 1.9792843776275615
Energy: 1.9562375589546714
Energy: 1.9792843776275615
Energy: 1.9562375589546714
Energy: 1.9792843776275615
Energy: 1.9723196134960241
Energy: 1.9959699604069931
Energy: 1.9723196134960241
Energy: 1.9959699604069931
Energy: 1.9723196134960241
Energy: 1.9959699604069931
Energy: 1.9723196134960241
Energy: 1.9443843209410125
Energy: 2.158147470639881
Energy: 1.9443843209410125
Energy: 2.158147470639881
Energy: 1.9443843209410125
Energy: 2.158147470639881
Energy: 1.9443843209410125
Energy: 2.0365390686148963
Energy: 2.0753890483331414
Energy: 2.0365390686148963
Energy: 2.0753890483331414
Energy: 2.0365390686148963
Energy: 2.0753890483331414
Energy: 2.0365390686148963
Energy: 2.042944921579917
Energy: 1.963220312631538
Energy: 2.042944921579917
Energy: 1.963220312631538
Energy: 2.042944921579917
Energy: 1.963220312631538
Energy: 2.042944921579917
Energy: 2.0647544965547873
Energy: 2.1117318297892447
Energy: 2.0647544965547873
Energy: 2.111731829785078
Energy: 2.0647544965547873
Energy: 2.111731829785078
Energy: 2.0647544965547873
Energy: 2.048542446209235
Energy: 2.187559907776984
Energy: 2.048542446209235
Energy: 2.187559907776984
Energy: 2.048542446209235
Energy: 2.187559907776984
Energy: 2.048542446209235
Energy: 2.119506374144972
Energy: 2.03927505550824
Energy: 2.119506374144972
Energy: 2.03927505550824
Energy: 2.119506374144972
Energy: 2.03927505550824
Energy: 2.119506374144972
Energy: 2.0269391016568226
Energy: 1.9632905567082064
Energy: 2.0269391016568226
Energy: 1.9632905567082064
Energy: 2.0269391016568226
Energy: 1.9632905567082064
Energy: 2.0269391016568226
Energy: 2.054889219375254
Energy: 2.1014446442233137
Energy: 2.054889219375254
Energy: 2.1014446442233137
Energy: 2.054889219375254
Energy: 2.1014446442233137
Energy: 2.054889219375254
Energy: 1.9445554529474387
Energy: 2.1427552141490587
Energy: 1.9445554529474387
Energy: 2.1427552141490587
Energy: 1.9445554529474387
Energy: 2.1427552141490587
Energy: 1.9445554529474387
Energy: 2.033629055298709
Energy: 1.9949732302253262
Energy: 2.033629055298709
Energy: 1.9949732302253262
Energy: 2.033629055298709
Energy: 1.9949732302253262
Energy: 2.033629055298709
Energy: 1.971521993756647
Energy: 1.9493820024380062
Energy: 1.971521993756647
Energy: 1.9493820024380062
Energy: 1.971521993756647
Energy: 1.9493820024380062
Energy: 1.971521993756647
Energy: 1.9879426706559153
Energy: 2.045238284324264
Energy: 1.9879426706559153
Energy: 2.045238284324264
Energy: 1.9879426706559153
Energy: 2.045238284324264
Energy: 1.9879426706559153
Energy: 1.9483217076809987
Energy: 2.0817050707076095
Energy: 1.9483217076809987
Energy: 2.0817050707076095
Energy: 1.9483217076809987
Energy: 2.0817050707076095
Energy: 1.9483217076809987
Energy: 2.1462734257658957
Energy: 1.9184813136949204
Energy: 2.1462734257658957
Energy: 1.9184813136949204
Energy: 2.1462734257658957
Energy: 1.9184813136949204
Energy: 2.1462734257658957
Energy: 1.9398424357594302
Energy: 1.9065493072582538
Energy: 1.9398424357594302
Energy: 1.9065493072582538
Energy: 1.9398424357594302
Energy: 1.9065493072582538
Energy: 1.9398424357594302
Energy: 1.9353931056476903
Energy: 1.9839490710939196
Energy: 1.9353931056476903
Energy: 1.9839490710939196
Energy: 1.9353931056476903
Energy: 1.9839490710939196
Energy: 1.9353931056476903
Energy: 1.9176002915523536
Energy: 2.109003903503513
Energy: 1.9176002915523536
Energy: 2.109003903503513
Energy: 1.9176002915523536
Energy: 2.109003903503513
Energy: 1.9176002915523536
Energy: 1.9421014875633031
Energy: 1.9190529790657331
Energy: 1.9421014875633031
Energy: 1.9190529790657331
Energy: 1.9421014875633031
Energy: 1.9190529790657331
Energy: 1.9421014875633031
Energy: 1.9967876292084323
Energy: 1.9051161769719505
Energy: 1.9967876292084323
Energy: 1.9051161769719505
Energy: 1.9967876292084323
Energy: 1.9051161769719505
Energy: 1.9967876292084323
Energy: 1.9407722260637885
Energy: 2.115752774910707
Energy: 1.9407722260637885
Energy: 2.115752774910707
Energy: 1.9407722260637885
Energy: 2.115752774910707
Energy: 1.9407722260637885
Energy: 1.9172152516478462
Energy: 1.9095607393708618
Energy: 1.9172152516478462
Energy: 1.9095607393708618
Energy: 1.9172152516478462
Energy: 1.9095607393708618
Energy: 1.9172152516478462
Energy: 1.9426547303371307
Energy: 1.9496657338256547
Energy: 1.9426547303371307
Energy: 1.9496657338256547
Energy: 1.9426547303371307
Energy: 1.9496657338256547
Energy: 1.9426547303371307

minimum gb energy = 1.9051161769719505 eV
minimum distance =  2.44569948041572 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834059184
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890492998
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 0.8959272834059184
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834059184
Energy: 0.8677583361276857
Energy: 0.8959272834059184
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834059184
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 0.8959272834059184
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834059184
Energy: 0.8677583361276857
Energy: 0.8959272834059184
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 0.8959272834059184
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 0.8959272834059184
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834059184
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834059184
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 0.8677583361276857
Energy: 0.8959272834049788
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890474426
Energy: 2.167846379025915
Energy: 3.2510052890483814
Energy: 2.167846379025915
Energy: 3.2510052890483814

minimum gb energy = 0.8677583361276857 eV
minimum distance =  2.29722194217109 Angstroms
sigma value = 23