Model name: model_name=SNAP_ZuoChenLi_2019_Mo__MO_014123846623_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=3.169258482754231
cohesive_energy=5.496712243166805
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: -5.3546056935499 eV

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

Energy: 0.016937443736579506
Energy: 1.2041805342887075
Energy: 0.016937443736579506
Energy: 1.2041805342887075
Energy: 0.016937443736579506
Energy: 1.2041805342887075
Energy: 0.016937443736579506
Energy: 0.017768028238916357
Energy: 0.6934201214054977
Energy: 0.017768028238916357
Energy: 0.6934201214054977
Energy: 0.017768028238916357
Energy: 0.6934201214054977
Energy: 0.017768028238916357
Energy: 0.017266963600153454
Energy: 0.6801682812905249
Energy: 0.017266963600153454
Energy: 0.6801682812872674
Energy: 0.017266963600153454
Energy: 0.6801682812872674
Energy: 0.017266963600153454
Energy: 0.017768028238916357
Energy: 0.6934201214054977
Energy: 0.017768028238916357
Energy: 0.6934201214054977
Energy: 0.017768028238916357
Energy: 0.6934201214054977
Energy: 0.017768028238916357
Energy: 0.016937443736579506
Energy: 1.2041805342887075
Energy: 0.016937443736579506
Energy: 1.2041805342887075
Energy: 0.016937443736579506
Energy: 1.2041805342887075
Energy: 0.016937443736579506
Energy: 0.017768028238916357
Energy: 0.6934201214054977
Energy: 0.017768028238916357
Energy: 0.6934201214054977
Energy: 0.017768028238916357
Energy: 0.6934201214054977
Energy: 0.017768028238916357

minimum gb energy = 0.016937443736579506 eV
minimum distance =  2.7401540144985 Angstroms
sigma value = 5


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

Energy: 2.1946712688612604
Energy: 2.195940917982205
Energy: 2.1946712688612604
Energy: 2.195940917982205
Energy: 2.1946712688612604
Energy: 2.195940917982205
Energy: 2.1946712688612604
Energy: 2.132334751086233
Energy: 2.135825727183123
Energy: 2.132334751086233
Energy: 2.135825727183123
Energy: 2.132334751086233
Energy: 2.135825727183123
Energy: 2.132334751086233
Energy: 1.9644693066584498
Energy: 1.9944669283805134
Energy: 1.9644693066584498
Energy: 1.9944669283805134
Energy: 1.9644693066584498
Energy: 1.9944669283805134
Energy: 1.9644693066584498
Energy: 2.0029354220911135
Energy: 2.080331464524665
Energy: 2.0029354220911135
Energy: 2.080331464524665
Energy: 2.0029354220911135
Energy: 2.080331464524665
Energy: 2.0029354220911135
Energy: 1.9740171735695768
Energy: 2.135901747667343
Energy: 1.9740171735695768
Energy: 2.135901747667343
Energy: 1.9740171735695768
Energy: 2.135901747667343
Energy: 1.9740171735695768
Energy: 1.9973199649193882
Energy: 2.141073343397709
Energy: 1.9973199649233677
Energy: 2.141073343397709
Energy: 1.9973199649193882
Energy: 2.141073343397709
Energy: 1.9973199649233677
Energy: 2.068798611366552
Energy: 2.1897036617763694
Energy: 2.068798611366552
Energy: 2.1897036617763694
Energy: 2.068798611366552
Energy: 2.1897036617763694
Energy: 2.068798611366552
Energy: 2.0190026982278444
Energy: 2.141310425227887
Energy: 2.0190026982278444
Energy: 2.141310425227887
Energy: 2.0190026982278444
Energy: 2.141310425227887
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Energy: 1.9768451696339597
Energy: 1.91419829878475
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Energy: 1.91419829878475
Energy: 1.9768451696339597
Energy: 1.91419829878475
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Energy: 2.0067380716238445
Energy: 2.0435566937965683
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Energy: 2.0435566937965683
Energy: 2.0067380716238445
Energy: 2.0435566937965683
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Energy: 2.0151120060315053
Energy: 1.9753945483470616
Energy: 2.0151120060315053
Energy: 1.9753945483470616
Energy: 2.0151120060315053
Energy: 1.9753945483470616
Energy: 2.0151120060315053
Energy: 2.0535920196557167
Energy: 2.0611527445478264
Energy: 2.0535920196557167
Energy: 2.0611527445478264
Energy: 2.0535920196557167
Energy: 2.0611527445478264
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Energy: 1.9835833413074444
Energy: 2.031272336458277
Energy: 1.9835833413074444
Energy: 2.031272336458277
Energy: 1.9835833413074444
Energy: 2.031272336458277
Energy: 1.9835833413074444
Energy: 2.012535988604152
Energy: 2.174880767912182
Energy: 2.012535988604152
Energy: 2.1748807679082027
Energy: 2.012535988604152
Energy: 2.1748807679082027
Energy: 2.012535988604152
Energy: 1.9718349177421455
Energy: 2.1160828926572126
Energy: 1.9718349177421455
Energy: 2.1160828926572126
Energy: 1.9718349177421455
Energy: 2.1160828926572126
Energy: 1.9718349177421455
Energy: 2.075078552073367
Energy: 2.022702156379462
Energy: 2.0750785520693875
Energy: 2.022702156379462
Energy: 2.0750785520693875
Energy: 2.022702156379462
Energy: 2.0750785520693875
Energy: 1.9800751274860124
Energy: 2.0358722849194435
Energy: 1.9800751274860124
Energy: 2.0358722849194435
Energy: 1.9800751274860124
Energy: 2.0358722849194435
Energy: 1.9800751274860124
Energy: 2.0743014927231513
Energy: 2.1031917199767274
Energy: 2.0743014927231513
Energy: 2.1031917199767274
Energy: 2.0743014927231513
Energy: 2.1031917199767274
Energy: 2.0743014927231513
Energy: 2.0717010923468715
Energy: 1.9781998584841043
Energy: 2.0717010923468715
Energy: 1.9781998584841043
Energy: 2.0717010923468715
Energy: 1.9781998584841043
Energy: 2.0717010923468715
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Energy: 1.9153506871723294
Energy: 2.0006468052506796
Energy: 1.9153506871723294
Energy: 2.0006468052506796
Energy: 1.9153506871723294
Energy: 2.0006468052506796
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Energy: 1.9134163881316877
Energy: 2.0380653453837874
Energy: 1.9134163881316877
Energy: 2.0380653453837874
Energy: 1.9134163881316877
Energy: 2.0380653453837874
Energy: 2.024956607191151
Energy: 2.1728794144174635
Energy: 2.024956607191151
Energy: 2.1728794144174635
Energy: 2.024956607191151
Energy: 2.1728794144174635
Energy: 2.024956607191151
Energy: 2.0108020005101443
Energy: 2.0570238500327953
Energy: 2.0108020005101443
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Energy: 2.0108020005101443
Energy: 2.0570238500327953
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Energy: 2.0817461314538983
Energy: 2.193743076691296
Energy: 2.0817461314538983
Energy: 2.193743076691296
Energy: 2.0817461314538983
Energy: 2.193743076691296
Energy: 2.0817461314538983
Energy: 2.169399937468189
Energy: 2.090125820205603
Energy: 2.169399937468189
Energy: 2.090125820205603
Energy: 2.169399937468189
Energy: 2.090125820205603
Energy: 2.169399937468189
Energy: 1.9941596608079466
Energy: 2.1285853822405643
Energy: 1.9642006221371542
Energy: 2.1285853822405643
Energy: 1.9941596608079466
Energy: 2.1285853822405643
Energy: 1.9941596608079466
Energy: 2.1820612528408363
Energy: 2.0559167215486984
Energy: 2.1820612528408363
Energy: 2.0559167215486984
Energy: 2.1820612528408363
Energy: 2.0559167215486984
Energy: 2.1820612528408363
Energy: 1.9821977402551145
Energy: 1.999474987373337
Energy: 1.9821977402551145
Energy: 1.999474987373337
Energy: 1.9821977402551145
Energy: 1.999474987373337
Energy: 1.9821977402551145
Energy: 2.0695238034834667
Energy: 2.134961989214876
Energy: 2.0695238034834667
Energy: 2.134961989214876
Energy: 2.0695238034834667
Energy: 2.134961989214876
Energy: 2.0695238034834667
Energy: 2.114395376409566
Energy: 2.176983213887838
Energy: 2.114395376409566
Energy: 2.176983213887838
Energy: 2.114395376409566
Energy: 2.176983213887838
Energy: 2.114395376409566
Energy: 2.0547566974043736
Energy: 2.001591030627699
Energy: 2.0547566974043736
Energy: 2.001591030627699
Energy: 2.0547566974043736
Energy: 2.001591030627699
Energy: 2.0547566974043736
Energy: 1.9557821931034383
Energy: 2.0015673061192243
Energy: 1.9557821931034383
Energy: 2.0015673061192243
Energy: 1.9557821931034383
Energy: 2.0015673061192243
Energy: 1.9557821931034383
Energy: 1.9610997107466546
Energy: 2.0745146513399204
Energy: 1.9610997107466546
Energy: 2.0745146513399204
Energy: 1.9610997107466546
Energy: 2.0745146513399204
Energy: 1.9610997107466546
Energy: 1.968991675025995
Energy: 2.128016488510407
Energy: 1.968991675025995
Energy: 2.128016488510407
Energy: 1.968991675025995
Energy: 2.128016488510407
Energy: 1.968991675025995
Energy: 2.0815390264617766
Energy: 2.183836162057553
Energy: 2.0815390264617766
Energy: 2.183836162057553
Energy: 2.0815390264617766
Energy: 2.183836162057553
Energy: 2.0815390264617766
Energy: 2.0492850989933653
Energy: 2.09265749957803
Energy: 2.0492850989933653
Energy: 2.09265749957803
Energy: 2.0492850989933653
Energy: 2.09265749957803
Energy: 2.0492850989933653
Energy: 2.021431870659299
Energy: 2.221086692825643
Energy: 2.021431870659299
Energy: 2.221086692825643
Energy: 2.021431870659299
Energy: 2.221086692825643
Energy: 2.021431870659299
Energy: 2.018797432425838
Energy: 2.084332822634934
Energy: 2.018797432425838
Energy: 2.084332822634934
Energy: 2.018797432425838
Energy: 2.084332822634934
Energy: 2.018797432425838
Energy: 1.952078196770034
Energy: 1.9161944124055765
Energy: 1.952078196770034
Energy: 1.9161944124055765
Energy: 1.952078196770034
Energy: 1.9161944124055765
Energy: 1.952078196770034
Energy: 2.1015132850080382
Energy: 2.076738763731178
Energy: 2.1015132850040588
Energy: 2.076738763731178
Energy: 2.1015132850040588
Energy: 2.076738763731178
Energy: 2.1015132850040588
Energy: 2.0148307411596047
Energy: 2.02204943231716
Energy: 2.0148307411596047
Energy: 2.0220494323211398
Energy: 2.0148307411596047
Energy: 2.02204943231716
Energy: 2.0148307411596047
Energy: 2.0027723528579617
Energy: 2.132263448530074
Energy: 2.0027723528579617
Energy: 2.132263448530074
Energy: 2.0027723528579617
Energy: 2.132263448530074
Energy: 2.0027723528579617
Energy: 1.9815820495217462
Energy: 2.03436950926304
Energy: 1.9815820495217462
Energy: 2.03436950926304
Energy: 1.9815820495217462
Energy: 2.03436950926304
Energy: 1.9815820495217462
Energy: 2.0171080208374805
Energy: 2.144145862439946
Energy: 2.0171080208374805
Energy: 2.144145862439946
Energy: 2.0171080208374805
Energy: 2.144145862439946
Energy: 2.0171080208374805
Energy: 1.9860940378061234
Energy: 2.0666023136368903
Energy: 1.9860940378061234
Energy: 2.0666023136368903
Energy: 1.9860940378061234
Energy: 2.0666023136368903
Energy: 1.9860940378061234
Energy: 2.0104049012575094
Energy: 2.0373430895755726
Energy: 2.0104049012575094
Energy: 2.0373430895755726
Energy: 2.0104049012575094
Energy: 2.0373430895755726
Energy: 2.0104049012575094

minimum gb energy = 1.9134163881316877 eV
minimum distance =  2.4705246261854 Angstroms
sigma value = 401


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

Energy: 2.4262808465183934
Energy: 2.097561031475263
Energy: 2.4262808465183934
Energy: 2.097561031475263
Energy: 2.4262808465183934
Energy: 2.097561031475263
Energy: 2.4262808465183934
Energy: 2.1148075371706923
Energy: 2.087561510324779
Energy: 2.1148075371706923
Energy: 2.087561510324779
Energy: 2.1148075371706923
Energy: 2.087561510324779
Energy: 2.1148075371706923
Energy: 2.0614877166867323
Energy: 2.0034423282901543
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Energy: 2.0614877166867323
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Energy: 2.062807593133304
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Energy: 2.062807593133304
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Energy: 2.062807593133304
Energy: 2.0228787390880636
Energy: 2.0681127049999595
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Energy: 2.0681127049999595
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Energy: 2.0625674078995537
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Energy: 2.160858392341954
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Energy: 2.160858392341954
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Energy: 2.0629589538338275
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Energy: 2.160481802308806
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Energy: 2.071171438905854
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Energy: 2.071171438905854
Energy: 2.071139610101184
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Energy: 2.026296902919413
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Energy: 2.0995789189272753
Energy: 2.026296902919413
Energy: 2.0995789189272753
Energy: 2.026296902919413
Energy: 2.318916605724032
Energy: 2.097561031475263
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Energy: 2.097561031475263
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Energy: 2.0262986655700166
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Energy: 2.0618176025267356
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Energy: 2.0618176025267356
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Energy: 2.0228787390880636
Energy: 2.068213687986794
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Energy: 2.068213687986794
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Energy: 2.0625674078995537
Energy: 2.160858392341954
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Energy: 2.160858392341954
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Energy: 2.160858392341954
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Energy: 2.0629589538338275
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Energy: 2.0629589538338275
Energy: 2.160481802308806
Energy: 2.0629589538338275
Energy: 2.160481802308806
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Energy: 2.0698782393922284
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Energy: 2.070586689172774
Energy: 2.070097696042641
Energy: 2.070586689172774
Energy: 2.070097696042641
Energy: 2.070586689172774
Energy: 2.070097696042641
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Energy: 2.008653208376429
Energy: 2.135995622456915
Energy: 2.008653208376429
Energy: 2.135995622456915
Energy: 2.008653208376429
Energy: 2.135995622456915
Energy: 2.008653208376429
Energy: 2.027122527147954
Energy: 2.1505627143382045
Energy: 2.027122527147954
Energy: 2.1505627143382045
Energy: 2.027122527147954
Energy: 2.1505627143382045
Energy: 2.027122527147954
Energy: 2.02368010274699
Energy: 2.0238315485161773
Energy: 2.02368010274699
Energy: 2.0238315485161773
Energy: 2.02368010274699
Energy: 2.0238315485161773
Energy: 2.02368010274699
Energy: 2.114481064101087
Energy: 2.0995789189272753
Energy: 2.114481064101087
Energy: 2.0995789189272753
Energy: 2.114481064101087
Energy: 2.0995789189272753
Energy: 2.114481064101087
Energy: 2.4262808465183934
Energy: 2.097561031475263
Energy: 2.4262808465183934
Energy: 2.097561031475263
Energy: 2.4262808465183934
Energy: 2.097561031475263
Energy: 2.4262808465183934
Energy: 2.1148075371706923
Energy: 2.087561510324779
Energy: 2.1148075371706923
Energy: 2.087561510324779
Energy: 2.1148075371706923
Energy: 2.087561510324779
Energy: 2.1148075371706923
Energy: 2.0614877166867323
Energy: 2.0034423282942195
Energy: 2.0614877166867323
Energy: 2.0034423282942195
Energy: 2.0614877166867323
Energy: 2.0034423282942195
Energy: 2.0614877166867323
Energy: 2.062807593133304
Energy: 2.1069436626512634
Energy: 2.062807593133304
Energy: 2.1069436626512634
Energy: 2.062807593133304
Energy: 2.1069436626512634
Energy: 2.062807593133304
Energy: 2.0228787390880636
Energy: 2.0681127049999595
Energy: 2.022878739083546
Energy: 2.0681127049999595
Energy: 2.0228787390880636
Energy: 2.0681127049999595
Energy: 2.022878739083546
Energy: 2.0625674078995537
Energy: 2.160858392341954
Energy: 2.0625674078995537
Energy: 2.160858392341954
Energy: 2.0625674078995537
Energy: 2.160858392341954
Energy: 2.0625674078995537
Energy: 2.0629589538338275
Energy: 2.160481802308806
Energy: 2.0629589538338275
Energy: 2.160481802308806
Energy: 2.0629589538338275
Energy: 2.160481802308806
Energy: 2.0629589538338275
Energy: 2.071171438905854
Energy: 2.069887057462731
Energy: 2.071171438905854
Energy: 2.069887057462731
Energy: 2.071171438905854
Energy: 2.069887057462731
Energy: 2.071171438905854
Energy: 2.071139610101184
Energy: 2.070001609529268
Energy: 2.071139610101184
Energy: 2.070001609529268
Energy: 2.071139610101184
Energy: 2.070001609529268
Energy: 2.071139610101184
Energy: 2.0085027676079483
Energy: 2.135995622456915
Energy: 2.0085027676079483
Energy: 2.135995622456915
Energy: 2.0085027676079483
Energy: 2.135995622456915
Energy: 2.0085027676079483
Energy: 2.044589573204946
Energy: 2.1505627143382045
Energy: 2.044589573204946
Energy: 2.1505627143382045
Energy: 2.044589573204946
Energy: 2.1505627143382045
Energy: 2.044589573204946
Energy: 2.02368010274699
Energy: 2.0238315485161773
Energy: 2.02368010274699
Energy: 2.0238315485161773
Energy: 2.02368010274699
Energy: 2.0238315485161773
Energy: 2.02368010274699
Energy: 2.026296902919413
Energy: 2.0995789189272753
Energy: 2.026296902919413
Energy: 2.0995789189272753
Energy: 2.026296902919413
Energy: 2.0995789189272753
Energy: 2.026296902919413
Energy: 2.318916605724032
Energy: 2.097561031475263
Energy: 2.318916605724032
Energy: 2.097561031475263
Energy: 2.318916605724032
Energy: 2.097561031475263
Energy: 2.318916605724032
Energy: 2.0262986655700166
Energy: 2.09191795147432
Energy: 2.0262986655700166
Energy: 2.09191795147432
Energy: 2.0262986655700166
Energy: 2.09191795147432
Energy: 2.0262986655700166

minimum gb energy = 2.0034423282901543 eV
minimum distance =  2.52662252239536 Angstroms
sigma value = 311


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

Energy: 1.9877863812902525
Energy: 2.153778615483894
Energy: 1.9877863812902525
Energy: 2.153778615483894
Energy: 1.9877863812902525
Energy: 2.153778615483894
Energy: 1.987786381290774
Energy: 1.984541694504652
Energy: 1.9831125077375145
Energy: 1.984541694504652
Energy: 1.9831125077375145
Energy: 1.984541694504652
Energy: 1.9831125077375145
Energy: 1.984541694504652
Energy: 1.9384485747927471
Energy: 2.0612191776882125
Energy: 1.9384485747927471
Energy: 2.0612191776882125
Energy: 1.9384485747927471
Energy: 2.0612191776882125
Energy: 1.9384485747927471
Energy: 2.216920560034665
Energy: 2.1665427707606173
Energy: 2.216920560034665
Energy: 2.1665427707606173
Energy: 2.216920560034665
Energy: 2.1665427707606173
Energy: 2.216920560034665
Energy: 2.155373036241127
Energy: 2.243293137096531
Energy: 2.155373036241127
Energy: 2.243293137096531
Energy: 2.155373036241127
Energy: 2.243293137096531
Energy: 2.155373036241127
Energy: 2.087304499146101
Energy: 2.334161261214558
Energy: 2.087304499146101
Energy: 2.334161261214558
Energy: 2.087304499146101
Energy: 2.334161261214558
Energy: 2.087304499146101
Energy: 2.081296862471648
Energy: 2.3427314167589777
Energy: 2.0812968624721697
Energy: 2.3427314167589777
Energy: 2.081296862471648
Energy: 2.3427314167589777
Energy: 2.0812968624721697
Energy: 2.153549296625213
Energy: 2.237382983825249
Energy: 2.153549296625213
Energy: 2.237382983825249
Energy: 2.153549296625213
Energy: 2.237382983825771
Energy: 2.153549296625213
Energy: 2.1568008573835584
Energy: 2.241714967684522
Energy: 2.1568008573835584
Energy: 2.241714967684522
Energy: 2.1568008573835584
Energy: 2.241714967684522
Energy: 2.1568008573835584
Energy: 1.9254923376744706
Energy: 2.205648542469181
Energy: 1.9254923376744706
Energy: 2.205648542469181
Energy: 1.9254923376744706
Energy: 2.205648542469181
Energy: 1.9254923376744706
Energy: 1.9427755834318008
Energy: 2.205107505904236
Energy: 1.9427755834318008
Energy: 2.205107505904236
Energy: 1.9427755834318008
Energy: 2.205107505904236
Energy: 1.9427755834318008
Energy: 2.198890936249577
Energy: 2.306068599443136
Energy: 2.198890936249577
Energy: 2.306068599443136
Energy: 2.198890936249577
Energy: 2.306068599443136
Energy: 2.198890936249577
Energy: 2.161177322342929
Energy: 2.126482350647912
Energy: 2.161177322342929
Energy: 2.126482350648433
Energy: 2.161177322342929
Energy: 2.126482350647912
Energy: 2.161177322342929
Energy: 2.055112326644294
Energy: 2.098109750326884
Energy: 2.055112326644294
Energy: 2.098109750326884
Energy: 2.055112326644294
Energy: 2.098109750326884
Energy: 2.055112326644294
Energy: 2.104876838541862
Energy: 2.199579778126808
Energy: 2.104876838541862
Energy: 2.199579778126808
Energy: 2.104876838541862
Energy: 2.199579778126808
Energy: 2.1048768385413408
Energy: 1.9903009853512046
Energy: 2.23103039368691
Energy: 1.9903009853512046
Energy: 2.23103039368691
Energy: 1.9903009853512046
Energy: 2.23103039368691
Energy: 1.9903009853512046
Energy: 1.9870611897130812
Energy: 2.055104281614218
Energy: 1.9870611897130812
Energy: 2.055104281614218
Energy: 1.9870611897130812
Energy: 2.055104281614218
Energy: 1.9870611897130812
Energy: 1.943811894049517
Energy: 2.0522674471802285
Energy: 1.943811894049517
Energy: 2.0522674471802285
Energy: 1.943811894049517
Energy: 2.0522674471802285
Energy: 1.943811894049517
Energy: 2.287214148100021
Energy: 2.3209454617206746
Energy: 2.287214148100021
Energy: 2.3209454617211955
Energy: 2.287214148100021
Energy: 2.3209454617206746
Energy: 2.287214148100021
Energy: 2.1546055654343492
Energy: 2.212388629718224
Energy: 2.1546055654343492
Energy: 2.212388629718224
Energy: 2.1546055654343492
Energy: 2.212388629718224
Energy: 2.1546055654343492
Energy: 2.0848876293668934
Energy: 2.0817297578626746
Energy: 2.0848876293668934
Energy: 2.0817297578626746
Energy: 2.0848876293668934
Energy: 2.0817297578631964
Energy: 2.0848876293668934
Energy: 2.065955625359187
Energy: 2.219488556539872
Energy: 2.0659556253597082
Energy: 2.219488556539872
Energy: 2.0659556253597082
Energy: 2.219488556539872
Energy: 2.0659556253597082
Energy: 2.1819073189345026
Energy: 2.1573579343698737
Energy: 2.1819073189339813
Energy: 2.1573579343698737
Energy: 2.1819073189345026
Energy: 2.1573579343698737
Energy: 2.1538950341709615
Energy: 2.087153566308805
Energy: 2.221327598933986
Energy: 2.087153566308805
Energy: 2.221327598933986
Energy: 2.087153566308805
Energy: 2.221327598933986
Energy: 2.087153566308805
Energy: 1.9344441378785107
Energy: 2.063524510235138
Energy: 1.9344441378785107
Energy: 2.063524510235138
Energy: 1.9344441378785107
Energy: 2.063524510235138
Energy: 1.9344441378785107
Energy: 2.114319327174808
Energy: 2.181746683471251
Energy: 2.114319327174808
Energy: 2.181746683471251
Energy: 2.114319327174808
Energy: 2.181746683471251
Energy: 2.114319327174808
Energy: 2.3220189774778803
Energy: 2.3075303567677534
Energy: 2.3220189774778803
Energy: 2.3075303567677534
Energy: 2.3220189774778803
Energy: 2.3075303567677534
Energy: 2.3220189774778803
Energy: 2.211064110828705
Energy: 2.3705787646518774
Energy: 2.211064110828705
Energy: 2.3705787646518774
Energy: 2.211064110828705
Energy: 2.3705787646518774
Energy: 2.211064110828705
Energy: 2.0902200585340958
Energy: 2.088126274205544
Energy: 2.0902200585340958
Energy: 2.088126274205544
Energy: 2.0902200585340958
Energy: 2.088126274205544
Energy: 2.0902200585340958
Energy: 2.0866246187645587
Energy: 2.1998747744432494
Energy: 2.0866246187645587
Energy: 2.1998747744432494
Energy: 2.0866246187645587
Energy: 2.1998747744432494
Energy: 2.0866246187645587
Energy: 2.0577489465215324
Energy: 2.2318255134240537
Energy: 2.0577489465215324
Energy: 2.2318255134240537
Energy: 2.0577489465215324
Energy: 2.2318255134240537
Energy: 2.0577489465215324
Energy: 1.923293476577727
Energy: 2.220878679612076
Energy: 1.923293476577727
Energy: 2.220878679612076
Energy: 1.923293476577727
Energy: 2.220878679612076
Energy: 1.923293476577727
Energy: 1.9428395564532277
Energy: 1.9655416007124915
Energy: 1.9428395564532277
Energy: 1.9655416007124915
Energy: 1.9428395564532277
Energy: 1.9655416007124915
Energy: 1.9428395564532277
Energy: 2.2262213319151627
Energy: 2.0724058232750577
Energy: 2.2262213319151627
Energy: 2.0724058232750577
Energy: 2.2262213319151627
Energy: 2.072405823275579
Energy: 2.2262213319151627
Energy: 2.1112427574613197
Energy: 2.200026758846507
Energy: 2.1112427574613197
Energy: 2.200026758846507
Energy: 2.1112427574613197
Energy: 2.200026758846507
Energy: 2.1112427574607984
Energy: 2.0551168550422116
Energy: 2.101776444018729
Energy: 2.0551168550422116
Energy: 2.1017764440192503
Energy: 2.0551168550422116
Energy: 2.1017764440192503
Energy: 2.0551168550422116

minimum gb energy = 1.923293476577727 eV
minimum distance =  2.45172725915056 Angstroms
sigma value = 39


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

Energy: 2.1706105844700443
Energy: 2.2400169474710885
Energy: 2.1706105844700443
Energy: 2.2400169474710885
Energy: 2.1706105844700443
Energy: 2.2400169474710885
Energy: 2.1706105844700443
Energy: 2.22864890849076
Energy: 2.007980139534426
Energy: 2.228648908490145
Energy: 2.007980139534426
Energy: 2.228648908490145
Energy: 2.007980139534426
Energy: 2.228648908490145
Energy: 2.085714466766546
Energy: 2.1105293494212374
Energy: 2.085714466767162
Energy: 2.1105293494212374
Energy: 2.085714466766546
Energy: 2.1105293494212374
Energy: 2.085714466766546
Energy: 2.281454482871268
Energy: 1.9800206374889198
Energy: 2.281454482871268
Energy: 1.9800206374889198
Energy: 2.281454482871268
Energy: 1.9800206374889198
Energy: 2.281454482871268
Energy: 2.18422568558549
Energy: 2.0380433249614702
Energy: 2.18422568558549
Energy: 2.0380433249614702
Energy: 2.18422568558549
Energy: 2.0380433249608543
Energy: 2.18422568558549
Energy: 2.209320787377476
Energy: 2.0665620629660926
Energy: 2.209320787377476
Energy: 2.0665620629660926
Energy: 2.209320787377476
Energy: 2.0665620629660926
Energy: 2.209320787377476
Energy: 2.1380198423918118
Energy: 2.0837551957217744
Energy: 2.1380198423918118
Energy: 2.0837551957217744
Energy: 2.1380198423911962
Energy: 2.0837551957217744
Energy: 2.1380198423918118
Energy: 2.1197633645321567
Energy: 2.078932804975366
Energy: 2.1197633645327723
Energy: 2.078932804975366
Energy: 2.1197633645321567
Energy: 2.078932804975366
Energy: 2.1197633645321567
Energy: 2.2603508181471037
Energy: 2.0676919038943
Energy: 2.2603508181471037
Energy: 2.0676919038943
Energy: 2.2603508181471037
Energy: 2.0676919038943
Energy: 2.2603508181471037
Energy: 2.068126979201324
Energy: 2.221161154085486
Energy: 2.068126979201324
Energy: 2.2211611540861007
Energy: 2.068126979201324
Energy: 2.221161154085486
Energy: 2.068126979201324
Energy: 2.1385080302291204
Energy: 2.2025480314904318
Energy: 2.1385080302291204
Energy: 2.2025480314904318
Energy: 2.1385080302291204
Energy: 2.2025480314904318
Energy: 2.1385080302291204
Energy: 2.0862742537705636
Energy: 2.0101311126745736
Energy: 2.0862742537705636
Energy: 2.0101311126745736
Energy: 2.0862742537705636
Energy: 2.0101311126745736
Energy: 2.0862742537705636
Energy: 1.9813027517663468
Energy: 1.979245274025954
Energy: 1.9813027517663468
Energy: 1.979245274025954
Energy: 1.9813027517663468
Energy: 1.979245274025954
Energy: 1.9813027517663468
Energy: 2.068378976650989
Energy: 2.0375320360179026
Energy: 2.068378976650989
Energy: 2.0375320360179026
Energy: 2.068378976650989
Energy: 2.0375320360179026
Energy: 2.068378976650989
Energy: 2.084836594044137
Energy: 2.1099517366488074
Energy: 2.084836594044137
Energy: 2.1099517366488074
Energy: 2.084836594044137
Energy: 2.1099517366488074
Energy: 2.084836594044137
Energy: 2.068393496373322
Energy: 2.0664563279362365
Energy: 2.068393496372707
Energy: 2.0664563279362365
Energy: 2.068393496373322
Energy: 2.0664563279362365
Energy: 2.068393496372707
Energy: 2.0670472113599083
Energy: 2.05011404437134
Energy: 2.0670472113599083
Energy: 2.05011404437134
Energy: 2.0670472113599083
Energy: 2.05011404437134
Energy: 2.0670472113605234
Energy: 2.116537146855132
Energy: 2.067222313657836
Energy: 2.116537146855132
Energy: 2.067222313657836
Energy: 2.116537146855132
Energy: 2.067222313657836
Energy: 2.116537146855132
Energy: 2.225120614020466
Energy: 2.1253366967730196
Energy: 2.225120614020466
Energy: 2.1253366967730196
Energy: 2.225120614020466
Energy: 2.1253366967730196
Energy: 2.225120614020466
Energy: 2.068190913173634
Energy: 2.23970307601464
Energy: 2.068190913173634
Energy: 2.23970307601464
Energy: 2.068190913173634
Energy: 2.23970307601464
Energy: 2.068190913173634
Energy: 2.178520140191485
Energy: 2.008648002984175
Energy: 2.178520140191485
Energy: 2.008648002984175
Energy: 2.178520140191485
Energy: 2.008648002984175
Energy: 2.178520140191485
Energy: 2.0858348832643747
Energy: 1.9953615088290042
Energy: 2.0858348832643747
Energy: 1.9953615088290042
Energy: 2.0858348832643747
Energy: 1.9953615088290042
Energy: 2.0858348832643747
Energy: 2.3573434065462475
Energy: 2.0134466930656583
Energy: 2.3573434065462475
Energy: 2.0134466930656583
Energy: 2.3573434065462475
Energy: 2.0134466930656583
Energy: 2.3573434065462475
Energy: 2.2029324947583198
Energy: 2.0372681378835518
Energy: 2.2029324947583198
Energy: 2.0372681378835518
Energy: 2.2029324947583198
Energy: 2.0372681378835518
Energy: 2.2029324947583198
Energy: 2.185781115948493
Energy: 2.0673262896792273
Energy: 2.185781115948493
Energy: 2.0673262896792273
Energy: 2.185781115948493
Energy: 2.0673262896792273
Energy: 2.185781115948493
Energy: 2.229035654631805
Energy: 2.050148858693804
Energy: 2.2290356546324204
Energy: 2.050148858693804
Energy: 2.2290356546324204
Energy: 2.050148858693804
Energy: 2.229035654631805
Energy: 2.117120289702851
Energy: 2.207984429537856
Energy: 2.117120289702851
Energy: 2.207984429537856
Energy: 2.117120289702851
Energy: 2.207984429537856
Energy: 2.117120289702851
Energy: 2.2290123946910616
Energy: 2.0676878302302395
Energy: 2.2290123946910616
Energy: 2.067687830230855
Energy: 2.2290123946910616
Energy: 2.0676878302302395
Energy: 2.2290123946910616
Energy: 2.1706105844706602
Energy: 2.2400169474717035
Energy: 2.1706105844706602
Energy: 2.2400169474710885
Energy: 2.1706105844706602
Energy: 2.2400169474710885
Energy: 2.1706105844706602
Energy: 2.228648908490145
Energy: 2.007980139534426
Energy: 2.228648908490145
Energy: 2.007980139534426
Energy: 2.228648908490145
Energy: 2.007980139534426
Energy: 2.228648908490145

minimum gb energy = 1.979245274025954 eV
minimum distance =  2.48652770516426 Angstroms
sigma value = 21


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

Energy: 2.14443273974051
Energy: 2.1635505490345324
Energy: 2.14443273974051
Energy: 2.1635505490345324
Energy: 2.14443273974051
Energy: 2.1635505490345324
Energy: 2.14443273974051
Energy: 1.9885090543809458
Energy: 1.9954955417783644
Energy: 1.9885090543809458
Energy: 1.9954955417783644
Energy: 1.9885090543809458
Energy: 1.9954955417783644
Energy: 1.9885090543809458
Energy: 2.015652051733583
Energy: 2.4582044539137624
Energy: 2.015652051733583
Energy: 2.4582044539137624
Energy: 2.015652051733583
Energy: 2.4582044539137624
Energy: 2.015652051733583
Energy: 2.1309265971184916
Energy: 1.990997573568346
Energy: 2.1309265971184916
Energy: 1.990997573568346
Energy: 2.1309265971184916
Energy: 1.990997573568346
Energy: 2.1309265971184916
Energy: 1.9521275928651223
Energy: 1.9739606469146318
Energy: 1.9521275928651223
Energy: 1.9739606469146318
Energy: 1.9521275928651223
Energy: 1.9739606469146318
Energy: 1.9521275928651223
Energy: 2.001626142251641
Energy: 2.01680378473602
Energy: 2.001626142251641
Energy: 2.01680378473602
Energy: 2.0016261422523884
Energy: 2.01680378473602
Energy: 2.0016261422523884
Energy: 2.0753443318776617
Energy: 2.2286040468501653
Energy: 2.0753443318776617
Energy: 2.2286040468501653
Energy: 2.0753443318776617
Energy: 2.2286040468501653
Energy: 2.0753443318776617
Energy: 2.0115627159880325
Energy: 2.0024926241002645
Energy: 2.0115627159880325
Energy: 2.0024926241002645
Energy: 2.0115627159880325
Energy: 2.0024926241002645
Energy: 2.0115627159880325
Energy: 2.0161935039717056
Energy: 2.005694631504324
Energy: 2.0161935039717056
Energy: 2.005694631504324
Energy: 2.0161935039717056
Energy: 2.0056946315050714
Energy: 2.0161935039717056
Energy: 1.9748509134857501
Energy: 2.2418444880577764
Energy: 1.9748509134857501
Energy: 2.2418444880577764
Energy: 1.9748509134857501
Energy: 2.2418444880585233
Energy: 1.9748509134857501
Energy: 1.9239327050846966
Energy: 1.9928110107069428
Energy: 1.9239327050846966
Energy: 1.9928110107076897
Energy: 1.9239327050846966
Energy: 1.9928110107076897
Energy: 1.9239327050846966
Energy: 1.9698163129985973
Energy: 2.0037728686554637
Energy: 1.9698163129985973
Energy: 2.0037728686554637
Energy: 1.9698163129985973
Energy: 2.0037728686554637
Energy: 1.9698163129985973
Energy: 1.9758596831916906
Energy: 2.0038034395403255
Energy: 1.9758596831916906
Energy: 2.0038034395403255
Energy: 1.9758596831916906
Energy: 2.0038034395403255
Energy: 1.9758596831916906
Energy: 2.010477120406817
Energy: 2.258568436188063
Energy: 2.010477120406817
Energy: 2.2585684361888108
Energy: 2.010477120406817
Energy: 2.258568436188063
Energy: 2.010477120406817
Energy: 2.0287088268897784
Energy: 1.993064798689679
Energy: 2.0287088268897784
Energy: 1.993064798689679
Energy: 2.0287088268897784
Energy: 1.993064798689679
Energy: 2.0287088268897784
Energy: 2.1016339402309927
Energy: 2.06870717187276
Energy: 2.1016339402309927
Energy: 2.06870717187276
Energy: 2.1016339402309927
Energy: 2.06870717187276
Energy: 2.1016339402309927
Energy: 2.0517013391764602
Energy: 2.01011732751115
Energy: 2.0517013391764602
Energy: 2.01011732751115
Energy: 2.0517013391764602
Energy: 2.01011732751115
Energy: 2.0517013391764602
Energy: 2.0159160701278127
Energy: 2.258960308296272
Energy: 2.0159160701278127
Energy: 2.258960308296272
Energy: 2.0159160701278127
Energy: 2.2589603082970195
Energy: 2.0159160701278127
Energy: 2.028222628655076
Energy: 1.9923946882262331
Energy: 2.028222628655076
Energy: 1.9923946882262331
Energy: 2.0282226286543286
Energy: 1.9923946882262331
Energy: 2.028222628655076
Energy: 1.969615566020536
Energy: 1.9603350777685387
Energy: 1.969615566020536
Energy: 1.9603350777685387
Energy: 1.969615566020536
Energy: 1.9603350777685387
Energy: 1.969615566020536
Energy: 1.975440424087173
Energy: 2.0824610952591227
Energy: 1.9754404240879206
Energy: 2.0824610952591227
Energy: 1.9754404240879206
Energy: 2.0824610952591227
Energy: 1.9754404240879206
Energy: 1.9420617946038803
Energy: 2.2300215034812574
Energy: 1.9420617946038803
Energy: 2.2300215034812574
Energy: 1.9420617946038803
Energy: 2.2300215034812574
Energy: 1.9420617946038803
Energy: 1.98120890761328
Energy: 1.991480094504725
Energy: 1.98120890761328
Energy: 1.991480094504725
Energy: 1.98120890761328
Energy: 1.991480094504725
Energy: 1.98120890761328
Energy: 2.0261044541206688
Energy: 1.9605641172707788
Energy: 2.0261044541206688
Energy: 1.9605641172707788
Energy: 2.0261044541206688
Energy: 1.9605641172707788
Energy: 2.0261044541206688
Energy: 1.9746042021017665
Energy: 2.0485240636603614
Energy: 1.9746042021017665
Energy: 2.0485240636603614
Energy: 1.9746042021017665
Energy: 2.0485240636603614
Energy: 1.9746042021017665

minimum gb energy = 1.9239327050846966 eV
minimum distance =  2.5171487906971 Angstroms
sigma value = 113


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

Energy: 1.8677059544192116
Energy: 2.0637993574908573
Energy: 1.8677059544192116
Energy: 2.0637993574908573
Energy: 1.8677059544192116
Energy: 2.0637993574908573
Energy: 1.8677059544192116
Energy: 1.8647611123867474
Energy: 1.8024594681335924
Energy: 1.8647611123867474
Energy: 1.8024594681335924
Energy: 1.8647611123867474
Energy: 1.8024594681335924
Energy: 1.8647611123867474
Energy: 1.8644772066281035
Energy: 1.789569313598331
Energy: 1.8644772066281035
Energy: 1.789569313598331
Energy: 1.8644772066281035
Energy: 1.789569313598331
Energy: 1.8644772066281035
Energy: 1.7697688554724986
Energy: 1.77476940934589
Energy: 1.7697688554724986
Energy: 1.77476940934589
Energy: 1.7697688554724986
Energy: 1.77476940934589
Energy: 1.7697688554724986
Energy: 1.7715910407545234
Energy: 1.9901766487763854
Energy: 1.7715910407545234
Energy: 1.9901766487805563
Energy: 1.7715910407545234
Energy: 1.9901766487763854
Energy: 1.7715910407545234
Energy: 1.7675348483609603
Energy: 1.750150881443968
Energy: 1.7675348483609603
Energy: 1.750150881443968
Energy: 1.7675348483609603
Energy: 1.750150881443968
Energy: 1.7675348483609603
Energy: 1.7469888546520982
Energy: 1.7111513630190502
Energy: 1.7469888546520982
Energy: 1.7111513630190502
Energy: 1.7469888546520982
Energy: 1.711151363023221
Energy: 1.7469888546520982
Energy: 1.758809872300991
Energy: 1.7192468690308378
Energy: 1.758809872300991
Energy: 1.7192468690308378
Energy: 1.758809872300991
Energy: 1.7192468690308378
Energy: 1.758809872300991
Energy: 1.720038335523601
Energy: 1.9061052620180958
Energy: 1.720038335523601
Energy: 1.9061052620180958
Energy: 1.720038335523601
Energy: 1.9061052620180958
Energy: 1.720038335523601
Energy: 1.7893011382642252
Energy: 1.6793149403710268
Energy: 1.7893011382642252
Energy: 1.6793149403710268
Energy: 1.7893011382642252
Energy: 1.6793149403710268
Energy: 1.7893011382642252
Energy: 1.7210254506682008
Energy: 1.6714738656120773
Energy: 1.7210254506682008
Energy: 1.6714738656120773
Energy: 1.7210254506682008
Energy: 1.6714738656120773
Energy: 1.7210254506682008
Energy: 1.7040521945268305
Energy: 1.7465555141247655
Energy: 1.7040521945268305
Energy: 1.7465555141247655
Energy: 1.7040521945268305
Energy: 1.7465555141247655
Energy: 1.7040521945268305
Energy: 1.684665262925845
Energy: 1.9333671919207183
Energy: 1.684665262925845
Energy: 1.9333671919207183
Energy: 1.684665262925845
Energy: 1.9333671919207183
Energy: 1.684665262925845
Energy: 1.776974711494154
Energy: 1.6794701845088522
Energy: 1.776974711494154
Energy: 1.6794701845088522
Energy: 1.776974711494154
Energy: 1.6794701845088522
Energy: 1.776974711494154
Energy: 1.7813236262225531
Energy: 1.6756520359227873
Energy: 1.7813236262225531
Energy: 1.6756520359227873
Energy: 1.7813236262225531
Energy: 1.6756520359227873
Energy: 1.7813236262225531
Energy: 1.7058900929728078
Energy: 1.8902714476083786
Energy: 1.7058900929728078
Energy: 1.8902714476083786
Energy: 1.7058900929728078
Energy: 1.8902714476083786
Energy: 1.7058900929728078
Energy: 1.6754232689474262
Energy: 1.6856511476278855
Energy: 1.6754232689474262
Energy: 1.6856511476278855
Energy: 1.6754232689474262
Energy: 1.6856511476278855
Energy: 1.6754232689474262
Energy: 1.6989666799756287
Energy: 1.7144820527945908
Energy: 1.6989666799756287
Energy: 1.7144820527945908
Energy: 1.6989666799756287
Energy: 1.7144820527945908
Energy: 1.6989666799756287
Energy: 1.742679193373206
Energy: 1.675260708410879
Energy: 1.742679193373206
Energy: 1.675260708410879
Energy: 1.742679193373206
Energy: 1.675260708410879
Energy: 1.742679193373206
Energy: 1.7353600641966116
Energy: 1.8654037467546862
Energy: 1.7353600641966116
Energy: 1.8654037467546862
Energy: 1.7353600641966116
Energy: 1.8654037467546862
Energy: 1.7353600641966116
Energy: 1.8201327769366975
Energy: 1.68625881786254
Energy: 1.8201327769366975
Energy: 1.68625881786254
Energy: 1.8201327769366975
Energy: 1.68625881786254
Energy: 1.8201327769366975
Energy: 1.7331359376461635
Energy: 1.716575838125325
Energy: 1.7331359376461635
Energy: 1.716575838125325
Energy: 1.7331359376461635
Energy: 1.716575838125325
Energy: 1.7331359376461635
Energy: 1.7431020545785132
Energy: 1.7281721400589471
Energy: 1.7431020545785132
Energy: 1.728172140063118
Energy: 1.7431020545785132
Energy: 1.728172140063118
Energy: 1.7431020545785132
Energy: 1.70256444671741
Energy: 1.9237986842172738
Energy: 1.70256444671741
Energy: 1.9237986842172738
Energy: 1.70256444671741
Energy: 1.9237986842172738
Energy: 1.70256444671741
Energy: 1.8044000935441047
Energy: 1.781538937015007
Energy: 1.8044000935441047
Energy: 1.781538937015007
Energy: 1.8044000935441047
Energy: 1.781538937015007
Energy: 1.8044000935441047
Energy: 1.8170023049719224
Energy: 1.7191850453715887
Energy: 1.8170023049719224
Energy: 1.7191850453715887
Energy: 1.8170023049719224
Energy: 1.7191850453715887
Energy: 1.8170023049719224
Energy: 1.854038325370247
Energy: 1.87536372442818
Energy: 1.854038325370247
Energy: 1.87536372442818
Energy: 1.854038325370247
Energy: 1.87536372442818
Energy: 1.854038325370247
Energy: 1.783260885280816
Energy: 1.9547441516501929
Energy: 1.783260885280816
Energy: 1.9547441516501929
Energy: 1.783260885280816
Energy: 1.9547441516501929
Energy: 1.783260885280816
Energy: 1.869201690119546
Energy: 1.8056380966860408
Energy: 1.869201690119546
Energy: 1.8056380966860408
Energy: 1.869201690119546
Energy: 1.8056380966860408
Energy: 1.869201690119546
Energy: 1.796100378727554
Energy: 1.7192284446507349
Energy: 1.796100378727554
Energy: 1.7192284446507349
Energy: 1.796100378727554
Energy: 1.7192284446507349
Energy: 1.796100378727554
Energy: 1.7832235635436426
Energy: 1.8775619483226544
Energy: 1.7832235635436426
Energy: 1.8775619483226544
Energy: 1.7832235635436426
Energy: 1.8775619483226544
Energy: 1.7832235635436426
Energy: 1.7026879081177964
Energy: 1.930310590756747
Energy: 1.7026879081177964
Energy: 1.930310590756747
Energy: 1.7026879081177964
Energy: 1.930310590756747
Energy: 1.7026879081177964
Energy: 1.8017882254327924
Energy: 1.7468124797527984
Energy: 1.801788225436963
Energy: 1.7468124797527984
Energy: 1.801788225436963
Energy: 1.7468124797527984
Energy: 1.801788225436963
Energy: 1.7242586757060117
Energy: 1.71133967327269
Energy: 1.7242586757060117
Energy: 1.71133967327269
Energy: 1.7242586757060117
Energy: 1.71133967327269
Energy: 1.7242586757060117
Energy: 1.752330275511085
Energy: 1.9329715873659714
Energy: 1.752330275511085
Energy: 1.9329715873659714
Energy: 1.752330275511085
Energy: 1.9329715873659714
Energy: 1.752330275511085
Energy: 1.7201311702122082
Energy: 1.8637053296763082
Energy: 1.7201311702122082
Energy: 1.8637053296763082
Energy: 1.7201311702122082
Energy: 1.8637053296763082
Energy: 1.7201311702122082
Energy: 1.9269388794907896
Energy: 1.6866023287635876
Energy: 1.9269388794907896
Energy: 1.6866023287635876
Energy: 1.9269388794907896
Energy: 1.6866023287635876
Energy: 1.9269388794907896
Energy: 1.6978487995775424
Energy: 1.6722679649921182
Energy: 1.6978487995775424
Energy: 1.6722679649921182
Energy: 1.6978487995775424
Energy: 1.6722679649921182
Energy: 1.6978487995775424
Energy: 1.7038315827947934
Energy: 1.7398013515869455
Energy: 1.7038315827947934
Energy: 1.7398013515869455
Energy: 1.7038315827947934
Energy: 1.7398013515869455
Energy: 1.7038315827947934
Energy: 1.6716202284345598
Energy: 1.8871317215725278
Energy: 1.6716202284345598
Energy: 1.8871317215725278
Energy: 1.6716202284345598
Energy: 1.8871317215725278
Energy: 1.6716202284345598
Energy: 1.701662931495972
Energy: 1.68679964209749
Energy: 1.701662931495972
Energy: 1.68679964209749
Energy: 1.701662931495972
Energy: 1.68679964209749
Energy: 1.701662931495972
Energy: 1.7183813357402553
Energy: 1.6743847846910727
Energy: 1.7183813357402553
Energy: 1.6743847846910727
Energy: 1.7183813357402553
Energy: 1.6743847846910727
Energy: 1.7183813357402553
Energy: 1.706561196747936
Energy: 1.8909562412756729
Energy: 1.706561196747936
Energy: 1.8909562412756729
Energy: 1.706561196747936
Energy: 1.8909562412756729
Energy: 1.706561196747936
Energy: 1.6723611791569646
Energy: 1.6795368161834603
Energy: 1.6723611791569646
Energy: 1.6795368161834603
Energy: 1.6723611791569646
Energy: 1.6795368161834603
Energy: 1.6723611791569646
Energy: 1.7021006381730581
Energy: 1.721495853253912
Energy: 1.7021006381730581
Energy: 1.721495853253912
Energy: 1.7021006381730581
Energy: 1.721495853253912
Energy: 1.7021006381730581

minimum gb energy = 1.6714738656120773 eV
minimum distance =  2.52400933159484 Angstroms
sigma value = 365


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

Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 3.0508623561217045
Energy: 1.8981300028136654
Energy: 3.050862356122645
Energy: 1.8981300028136654
Energy: 3.0508623561235857
Energy: 1.8981300028136654
Energy: 3.050862356124526
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 3.0508623561217045
Energy: 1.8981300028136654
Energy: 3.0508623561151222
Energy: 1.8981300028136654
Energy: 3.0508623561235857
Energy: 1.8981300028136654
Energy: 3.0508623561207644
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 3.0508623561188837
Energy: 1.8981300028136654
Energy: 3.0508623561235857
Energy: 1.8981300028136654
Energy: 3.050862356122645
Energy: 1.8981300028136654
Energy: 3.0508623561217045
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 3.0508623561160624
Energy: 1.8981300028136654
Energy: 3.0508623561235857
Energy: 1.8981300028136654
Energy: 3.050862356122645
Energy: 1.8981300028136654
Energy: 3.050862356117003
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 3.050862356122645
Energy: 1.8981300028136654
Energy: 3.050862356119824
Energy: 1.8981300028136654
Energy: 3.050862356122645
Energy: 1.8981300028136654
Energy: 3.050862356126407
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 3.0508623561235857
Energy: 1.8981300028136654
Energy: 3.0508623561254664
Energy: 1.8981300028136654
Energy: 3.050862356122645
Energy: 1.8981300028136654
Energy: 3.050862356126407
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 3.050862356122645
Energy: 1.8981300028136654
Energy: 3.0508623561254664
Energy: 1.8981300028136654
Energy: 3.0508623561160624
Energy: 1.8981300028136654
Energy: 3.050862356113242
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 3.0508623561235857
Energy: 1.8981300028136654
Energy: 3.050862356122645
Energy: 1.8981300028136654
Energy: 3.0508623561254664
Energy: 1.8981300028136654
Energy: 3.050862356117003
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 3.050862356110421
Energy: 1.8981300028136654
Energy: 3.050862356119824
Energy: 1.8981300028136654
Energy: 3.050862356124526
Energy: 1.8981300028136654
Energy: 3.0508623561160624
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 0.7260827386729255
Energy: 0.748106857682784
Energy: 3.0508623561254664
Energy: 1.8981300028136654
Energy: 3.050862356122645
Energy: 1.8981300028136654
Energy: 3.0508623561141825
Energy: 1.8981300028136654
Energy: 3.050862356122645

minimum gb energy = 0.7260827386729255 eV
minimum distance =  2.47290552362991 Angstroms
sigma value = 23