Model name: model_name=SNAP_ZuoChenLi_2019quadratic_Mo__MO_692442138123_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=3.170121654868126
cohesive_energy=6.626793453681482
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: -4.22544605584842 eV

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

Energy: 0.020396091678259717
Energy: 1.2178658722260838
Energy: 0.020396091678259717
Energy: 1.2178658722260838
Energy: 0.020396091678259717
Energy: 1.2178658722260838
Energy: 0.020396091678259717
Energy: 0.02126328908056628
Energy: 0.7361744393213762
Energy: 0.02126328908056628
Energy: 0.7361744393213762
Energy: 0.02126328908056628
Energy: 0.7361744393213762
Energy: 0.02126328908056628
Energy: 1.7658676659274886
Energy: 0.6051885230381562
Energy: 2.035145754198468
Energy: 0.6051885230381562
Energy: 0.021701849482073068
Energy: 0.6051885230381562
Energy: 0.021701849482073068
Energy: 0.02126328908056628
Energy: 0.7361744393213762
Energy: 0.02126328908056628
Energy: 0.7361744393213762
Energy: 0.02126328908056628
Energy: 0.7361744393213762
Energy: 0.02126328908056628
Energy: 0.020396091678259717
Energy: 1.2178658722260838
Energy: 0.020396091678259717
Energy: 1.2178658722260838
Energy: 0.020396091678259717
Energy: 1.2178658722260838
Energy: 0.020396091678259717
Energy: 0.02126328908056628
Energy: 0.7361744393213762
Energy: 0.02126328908056628
Energy: 0.7361744393213762
Energy: 0.02126328908056628
Energy: 0.7361744393213762
Energy: 0.02126328908056628

minimum gb energy = 0.020396091678259717 eV
minimum distance =  2.73931642702716 Angstroms
sigma value = 5


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

Energy: 2.1528183486499906
Energy: 2.701060984536926
Energy: 2.1528183486499906
Energy: 2.701060984536926
Energy: 2.1528183486499906
Energy: 2.701060984536926
Energy: 2.1528183486499906
Energy: 2.1038844526569025
Energy: 2.0489870004321893
Energy: 2.1038844526569025
Energy: 2.048986988596476
Energy: 2.1038844526569025
Energy: 2.0489871969085653
Energy: 2.1038844526569025
Energy: 2.00644731613765
Energy: 2.0650737346144634
Energy: 2.00644731613765
Energy: 2.0650737346144634
Energy: 2.00644731613765
Energy: 2.0650737346144634
Energy: 2.00644731613765
Energy: 2.0179120566274595
Energy: 2.190604204710679
Energy: 2.0179120566274595
Energy: 2.190604204710679
Energy: 2.0179120566274595
Energy: 2.190604204710679
Energy: 2.0179120566274595
Energy: 2.029649323037801
Energy: 2.1588928491823696
Energy: 2.0296493230417787
Energy: 2.1588928491823696
Energy: 2.0296493230417787
Energy: 2.1588928491823696
Energy: 2.0296493230417787
Energy: 2.0218103300740133
Energy: 2.148068601076263
Energy: 2.0218103300740133
Energy: 2.148068601076263
Energy: 2.0218103300740133
Energy: 2.1480686010802406
Energy: 2.0218103300740133
Energy: 2.1322004378070214
Energy: 2.155883110387238
Energy: 2.1322004378070214
Energy: 2.155883110387238
Energy: 2.1322004378070214
Energy: 2.155883110387238
Energy: 2.1322004378070214
Energy: 2.066973222761509
Energy: 2.1749923282953
Energy: 2.066973222761509
Energy: 2.1749923282953
Energy: 2.066973222761509
Energy: 2.1749923282953
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Energy: 2.1664640082876265
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Energy: 2.1664640082876265
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Energy: 2.018126360078915
Energy: 2.006390811510151
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Energy: 2.006390811510151
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Energy: 2.006390811510151
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Energy: 2.090041583617516
Energy: 2.065172527389661
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Energy: 2.065172527389661
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Energy: 2.065172527389661
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Energy: 2.0585680578484604
Energy: 2.068639820784777
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Energy: 2.0686398207886825
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Energy: 2.0686398207886825
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Energy: 2.151466144085183
Energy: 2.076129526897089
Energy: 2.151466809888009
Energy: 2.076129526897089
Energy: 2.151466193245028
Energy: 2.076129526897089
Energy: 2.025538282387828
Energy: 2.090848937271486
Energy: 2.025538282387828
Energy: 2.090848937271486
Energy: 2.025538282387828
Energy: 2.090848937271486
Energy: 2.025538282387828
Energy: 2.0179708383101773
Energy: 2.100929857043751
Energy: 2.0179708383101773
Energy: 2.1009298584114298
Energy: 2.0179708383101773
Energy: 2.1009286341542293
Energy: 2.0179708383101773
Energy: 2.025868619175672
Energy: 2.1350351105210934
Energy: 2.025868619175672
Energy: 2.1350351105210934
Energy: 2.025868619175672
Energy: 2.1350351105210934
Energy: 2.025868619175672
Energy: 2.1138078254673633
Energy: 2.07353795309616
Energy: 2.1138078018754136
Energy: 2.0735379530921825
Energy: 2.113807798591524
Energy: 2.0735379530921825
Energy: 2.113808032467532
Energy: 2.027150700508693
Energy: 2.0934114843479326
Energy: 2.027150700508693
Energy: 2.0934114843479326
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Energy: 2.0934114843479326
Energy: 2.027150700508693
Energy: 2.1533001839639287
Energy: 2.0811403885923987
Energy: 2.1533001839639287
Energy: 2.0811403885923987
Energy: 2.1533001839639287
Energy: 2.0811403885923987
Energy: 2.1533001839639287
Energy: 2.12327280304046
Energy: 2.064326776955886
Energy: 2.12327280304046
Energy: 2.064326776955886
Energy: 2.12327280304046
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Energy: 2.083944157133865
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Energy: 2.083944157133865
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Energy: 2.083944157133865
Energy: 2.0830274686750725
Energy: 1.9912489602387258
Energy: 2.0830274686750725
Energy: 1.9912489602387258
Energy: 2.0830274686750725
Energy: 1.9912489602387258
Energy: 2.0830274686750725
Energy: 2.1171315388340903
Energy: 2.164427244116715
Energy: 2.0591169793982402
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Energy: 2.0591169793982402
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Energy: 2.0591169793982402
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Energy: 2.1193159204834178
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Energy: 2.1193159204834178
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Energy: 2.1193159204834178
Energy: 2.1021756152969906
Energy: 2.1386977437240082
Energy: 2.1494907120627484
Energy: 2.1386977437240082
Energy: 2.1494907120627484
Energy: 2.1386977437240082
Energy: 2.1494907120587707
Energy: 2.1386977437240082
Energy: 2.1833710826494714
Energy: 2.1591382106898727
Energy: 2.183371082645494
Energy: 2.159138210729648
Energy: 2.183371082645494
Energy: 2.1591382109761796
Energy: 2.1833710826972013
Energy: 2.0174750225494043
Energy: 2.1509308042951734
Energy: 2.0613492477478084
Energy: 2.1509308042951734
Energy: 2.0051952699704314
Energy: 2.1509308042951734
Energy: 2.0051952699704314
Energy: 2.2005209918735367
Energy: 2.1808270753854315
Energy: 2.200520991877514
Energy: 2.1808270753854315
Energy: 2.2005209918576263
Energy: 2.1808270753854315
Energy: 2.200520991869559
Energy: 2.014151311439651
Energy: 2.0547740606839526
Energy: 2.014151311439651
Energy: 2.0547740606839526
Energy: 2.014151311439651
Energy: 2.0547740606799754
Energy: 2.014151311439651
Energy: 2.128408494362223
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Energy: 2.128408494362223
Energy: 2.173412869442384
Energy: 2.128408494362223
Energy: 2.1734046410695083
Energy: 2.128408494362223
Energy: 2.0591429087247324
Energy: 2.2074206742042137
Energy: 2.0591429087247324
Energy: 2.2074206742042137
Energy: 2.0591429087247324
Energy: 2.2074206742042137
Energy: 2.1330967084773613
Energy: 2.1223680269342107
Energy: 2.075955416570626
Energy: 2.1223680269342107
Energy: 2.075955416570626
Energy: 2.1223680269342107
Energy: 2.075955416570626
Energy: 2.1223680269342107
Energy: 2.0150224921692703
Energy: 2.058323032985588
Energy: 2.0150224921652926
Energy: 2.058323032985588
Energy: 2.0150224921652926
Energy: 2.058323032985588
Energy: 2.0150224921652926
Energy: 2.0215744794022603
Energy: 2.169452138808179
Energy: 2.0215744794022603
Energy: 2.169452138808179
Energy: 2.0215744794022603
Energy: 2.169452138808179
Energy: 2.0215744794022603
Energy: 2.0193436772728637
Energy: 2.1671677524862556
Energy: 2.0193436772728637
Energy: 2.1671677524862556
Energy: 2.0193436772728637
Energy: 2.1671677524862556
Energy: 2.0193436772728637
Energy: 2.1455012290688367
Energy: 2.150397448054253
Energy: 2.1455012290688367
Energy: 2.150397448054253
Energy: 2.1455012290688367
Energy: 2.150397448054253
Energy: 2.1455012290688367
Energy: 2.1129690844608784
Energy: 2.1532049772855086
Energy: 2.1129690844608784
Energy: 2.1532049772855086
Energy: 2.1129690844608784
Energy: 2.153204977281531
Energy: 2.1129690844608784
Energy: 2.0793925144723104
Energy: 2.162882697913226
Energy: 2.0793925144723104
Energy: 2.162882697913226
Energy: 2.0793925144723104
Energy: 2.162882697913226
Energy: 2.0793925144723104
Energy: 2.097555196973869
Energy: 2.181412781901508
Energy: 2.097555196973869
Energy: 2.181412781905485
Energy: 2.097555196973869
Energy: 2.181412781905485
Energy: 2.097555196973869
Energy: 2.0016605371447893
Energy: 1.987444418560686
Energy: 2.0016605371447893
Energy: 1.987444418560686
Energy: 2.0016605371447893
Energy: 1.987444418560686
Energy: 2.0016605371447893
Energy: 2.1840425428402246
Energy: 2.052016986913061
Energy: 2.1840425428402246
Energy: 2.0520162991880357
Energy: 2.1840425428402246
Energy: 2.0520165048642776
Energy: 2.1840425428402246
Energy: 2.058455955965344
Energy: 2.0686562844562095
Energy: 2.0584559559693214
Energy: 2.0686562844562095
Energy: 2.058455955965344
Energy: 2.0686562844562095
Energy: 2.058455955965344
Energy: 2.089439340562865
Energy: 2.114678799549727
Energy: 2.089439340562865
Energy: 2.114678799549727
Energy: 2.089439340562865
Energy: 2.114678799549727
Energy: 2.089439340562865
Energy: 2.025256023490875
Energy: 2.0978093642419897
Energy: 2.025256023490875
Energy: 2.0978093642459665
Energy: 2.025256023490875
Energy: 2.0978093642419897
Energy: 2.025256023490875
Energy: 2.0274844324351666
Energy: 2.1670824486570703
Energy: 2.0274844324351666
Energy: 2.1670824486570703
Energy: 2.0274844324351666
Energy: 2.1670824486570703
Energy: 2.0274844324351666
Energy: 2.0232344462457688
Energy: 2.1450912418486086
Energy: 2.0232344462457688
Energy: 2.1450912418486086
Energy: 2.0232344462457688
Energy: 2.1450912418486086
Energy: 2.0232344462457688
Energy: 2.03371170590636
Energy: 2.096719357579346
Energy: 2.03371170590636
Energy: 2.0967193575753686
Energy: 2.03371170590636
Energy: 2.096719357579346
Energy: 2.03371170590636

minimum gb energy = 1.987444418560686 eV
minimum distance =  2.47789775803322 Angstroms
sigma value = 401


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

Energy: 2.20271315651625
Energy: 2.1782959551884455
Energy: 2.20271315651625
Energy: 2.1782959551884455
Energy: 2.2027131565207645
Energy: 2.1782959551884455
Energy: 2.20271315651625
Energy: 2.110363171566065
Energy: 2.217342164378455
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Energy: 2.217342164378455
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Energy: 2.217342164378455
Energy: 2.110363171566065
Energy: 2.1218887800183874
Energy: 2.1238222559598774
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Energy: 2.1238222559598774
Energy: 2.1218887800183874
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Energy: 2.211551029253735
Energy: 2.083852062673651
Energy: 2.211551029253735
Energy: 2.083852062673651
Energy: 2.087759913590421
Energy: 2.1820586848457606
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Energy: 2.087759913590421
Energy: 2.1820586848457606
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Energy: 2.1487221997069796
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Energy: 2.1628402148866583
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Energy: 2.148467694501846
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Energy: 2.148467694497331
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Energy: 2.148467694497331
Energy: 2.1624142165120657
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Energy: 2.183881641444567
Energy: 2.156618163621468
Energy: 2.183881641444567
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Energy: 2.156954418912344
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Energy: 2.184172776133154
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Energy: 2.103808511103833
Energy: 2.249070541370234
Energy: 2.1000785592148654
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Energy: 2.1000785592148654
Energy: 2.249070541370234
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Energy: 2.1540440684356184
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Energy: 2.1540440684356184
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Energy: 2.1316040263564777
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Energy: 2.083852062673651
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Energy: 2.083852062673651
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Energy: 2.083852062673651
Energy: 2.2120866485516886
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Energy: 2.087759913590421
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Energy: 2.087759913590421
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Energy: 2.1628402148866583
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Energy: 2.148467694497331
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Energy: 2.1841208741102007
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Energy: 2.1841208741102007
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Energy: 2.157004826410419
Energy: 2.1842121085282615
Energy: 2.157004826410419
Energy: 2.1842121085282615
Energy: 2.157004826410419
Energy: 2.1842121085282615
Energy: 2.157004826410419
Energy: 2.1174796887087983
Energy: 2.161367048557619
Energy: 2.1174796887087983
Energy: 2.161367048557619
Energy: 2.1174796887087983
Energy: 2.161367048557619
Energy: 2.1174796887087983
Energy: 2.1193550303197606
Energy: 2.2020788145092913
Energy: 2.1193550303197606
Energy: 2.2020788145047763
Energy: 2.1193550303197606
Energy: 2.2020788145047763
Energy: 2.1193550303197606
Energy: 2.103808511103833
Energy: 2.1040659744075834
Energy: 2.103808511103833
Energy: 2.1040659744075834
Energy: 2.103808511103833
Energy: 2.1040659744075834
Energy: 2.103808511103833
Energy: 2.2234112161192643
Energy: 2.1000785592148654
Energy: 2.2234112161192643
Energy: 2.1000785592148654
Energy: 2.2234112161147497
Energy: 2.1000785592148654
Energy: 2.2234112161192643
Energy: 2.20271315651625
Energy: 2.1782959551884455
Energy: 2.20271315651625
Energy: 2.1782959551884455
Energy: 2.2027131565207645
Energy: 2.1782959551884455
Energy: 2.2027131565207645
Energy: 2.110363171566065
Energy: 2.217342164378455
Energy: 2.110363171566065
Energy: 2.217342164378455
Energy: 2.110363171566065
Energy: 2.217342164378455
Energy: 2.110363171566065
Energy: 2.1218887800183874
Energy: 2.1238222559598774
Energy: 2.1218887800183874
Energy: 2.1238222559598774
Energy: 2.1218887800183874
Energy: 2.1238222559598774
Energy: 2.1218887800183874
Energy: 2.083852062673651
Energy: 2.211551029253735
Energy: 2.083852062673651
Energy: 2.211551029253735
Energy: 2.083852062673651
Energy: 2.211551029253735
Energy: 2.083852062673651
Energy: 2.087759913590421
Energy: 2.1820586848457606
Energy: 2.087759913590421
Energy: 2.1820586848457606
Energy: 2.087759913590421
Energy: 2.1820586848457606
Energy: 2.087759913590421
Energy: 2.1487221997069796
Energy: 2.1628402148866583
Energy: 2.1487221997069796
Energy: 2.1628402148866583
Energy: 2.1487221997069796
Energy: 2.1628402148866583
Energy: 2.1487221997069796
Energy: 2.148467694497331
Energy: 2.1624142165120657
Energy: 2.148467694497331
Energy: 2.1624142165120657
Energy: 2.148467694497331
Energy: 2.1624142165120657
Energy: 2.148467694497331
Energy: 2.156618163621468
Energy: 2.183881641444567
Energy: 2.156618163621468
Energy: 2.183881641444567
Energy: 2.156618163621468
Energy: 2.183881641444567
Energy: 2.156618163621468
Energy: 2.156954418912344
Energy: 2.184172776133154
Energy: 2.156954418912344
Energy: 2.184172776133154
Energy: 2.156954418912344
Energy: 2.184172776133154
Energy: 2.156954418912344
Energy: 2.1198917261656365
Energy: 2.161367048557619
Energy: 2.1198917261656365
Energy: 2.161367048557619
Energy: 2.1198917261656365
Energy: 2.161367048557619
Energy: 2.1198917261656365
Energy: 2.1196754904138566
Energy: 2.2020788145047763
Energy: 2.1196754904138566
Energy: 2.2020788145047763
Energy: 2.1196754904138566
Energy: 2.2020788145047763
Energy: 2.1196754904138566
Energy: 2.103808511103833
Energy: 2.1040659744075834
Energy: 2.103808511103833
Energy: 2.1040659744075834
Energy: 2.103808511103833
Energy: 2.1040659744075834
Energy: 2.103808511103833
Energy: 2.249070541370234
Energy: 2.1000785592148654
Energy: 2.249070541370234
Energy: 2.1000785592148654
Energy: 2.249070541370234
Energy: 2.1000785592148654
Energy: 2.249070541370234
Energy: 2.3265134782426173
Energy: 2.1540440684356184
Energy: 2.3265134782426173
Energy: 2.1540440684356184
Energy: 2.3265134782426173
Energy: 2.1540440684356184
Energy: 2.3265134782426173
Energy: 2.1316040263564777
Energy: 2.1897393306310833
Energy: 2.1316040263564777
Energy: 2.1897393306265682
Energy: 2.1316040263564777
Energy: 2.1897393306265682
Energy: 2.1316040263564777

minimum gb energy = 2.083852062673651 eV
minimum distance =  2.47165972153692 Angstroms
sigma value = 311


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

Energy: 2.1198156017836514
Energy: 2.1938218806985352
Energy: 2.1198156017836514
Energy: 2.1938218806985352
Energy: 2.1198156017836514
Energy: 2.1938218806985352
Energy: 2.1198156017836514
Energy: 2.1169216069915118
Energy: 2.185800206469825
Energy: 2.1169216069915118
Energy: 2.185800206469825
Energy: 2.1169216069915118
Energy: 2.185800206469825
Energy: 2.1169216069915118
Energy: 2.1192845602646027
Energy: 2.118372428521922
Energy: 2.1193968059834907
Energy: 2.1190120972687883
Energy: 2.1192845602646027
Energy: 2.118372428521922
Energy: 2.1193968059834907
Energy: 2.362385174314934
Energy: 2.20865734437423
Energy: 2.3639391824865634
Energy: 2.208657344374751
Energy: 2.362385174314934
Energy: 2.2086573443690165
Energy: 2.3639391824865634
Energy: 2.275361375633883
Energy: 2.2263267436496705
Energy: 2.2754339116583107
Energy: 2.2263267436496705
Energy: 2.275361375633883
Energy: 2.2263267436496705
Energy: 2.2754339116583107
Energy: 2.1308626927014047
Energy: 2.308556811534222
Energy: 2.1308626927014047
Energy: 2.308556811534222
Energy: 2.1308626927014047
Energy: 2.308556811534222
Energy: 2.1308626927014047
Energy: 2.1287783865296612
Energy: 2.2943854322947907
Energy: 2.1287783865296612
Energy: 2.29438543229427
Energy: 2.1287783865296612
Energy: 2.29438543229427
Energy: 2.1287783865296612
Energy: 2.2672688585036185
Energy: 2.2031393810149758
Energy: 2.231072510960627
Energy: 2.2031393810149758
Energy: 2.2672688585036185
Energy: 2.2031393810149758
Energy: 2.231072510960106
Energy: 2.2659252420267393
Energy: 2.2131972519023275
Energy: 2.2312352826901316
Energy: 2.2131972519023275
Energy: 2.265925242026218
Energy: 2.2131972519023275
Energy: 2.2312352826901316
Energy: 2.1305704398786736
Energy: 2.2934631584701988
Energy: 2.1316436733310025
Energy: 2.293269033430145
Energy: 2.1305704398786736
Energy: 2.2934631584707197
Energy: 2.1316436733310025
Energy: 2.1297994103189706
Energy: 2.3094657849099702
Energy: 2.1313743455277274
Energy: 2.30919107561597
Energy: 2.1297994103189706
Energy: 2.3094657849099702
Energy: 2.1313743455277274
Energy: 2.27399466254593
Energy: 2.2266030265677945
Energy: 2.27399466254593
Energy: 2.226509471282396
Energy: 2.27399466254593
Energy: 2.2266030265677945
Energy: 2.27399466254593
Energy: 2.243430378809219
Energy: 2.2083190983850094
Energy: 2.2434303788086982
Energy: 2.2083190983850094
Energy: 2.243430378809219
Energy: 2.2083190983850094
Energy: 2.2434303788086982
Energy: 2.108626536271189
Energy: 2.1306808733740477
Energy: 2.1086265362706675
Energy: 2.1306808733740477
Energy: 2.1086265362706675
Energy: 2.1306808733740477
Energy: 2.1086265362706675
Energy: 2.2637505042412447
Energy: 2.312256729735942
Energy: 2.2637505042412447
Energy: 2.312256729735942
Energy: 2.263750504240723
Energy: 2.312256729735942
Energy: 2.2637505042412447
Energy: 2.122277115960386
Energy: 2.1755580810339628
Energy: 2.122277115960386
Energy: 2.1755580810339628
Energy: 2.122277115960386
Energy: 2.1755580810339628
Energy: 2.122277115960386
Energy: 2.2014065175540254
Energy: 2.121962249721463
Energy: 2.2013679359536455
Energy: 2.121962249721463
Energy: 2.2014065175540254
Energy: 2.121962249721463
Energy: 2.2013679359536455
Energy: 2.1631134684082953
Energy: 2.1730874813321726
Energy: 2.1631116268931976
Energy: 2.2409912587674565
Energy: 2.1631134684077744
Energy: 2.1730874813321726
Energy: 2.1631116268926767
Energy: 2.3649575751433667
Energy: 2.346013375260895
Energy: 2.2963336353703405
Energy: 2.346013375260895
Energy: 2.2963336353703405
Energy: 2.346013375260895
Energy: 2.2963336353703405
Energy: 2.2556619661251194
Energy: 2.347419736469047
Energy: 2.255660426723266
Energy: 2.3474205147921294
Energy: 2.2556619661251194
Energy: 2.347419736469047
Energy: 2.2556604267237876
Energy: 2.165917452392721
Energy: 2.153632227725481
Energy: 2.165917452392721
Energy: 2.1536322277260025
Energy: 2.165917452392721
Energy: 2.153632227725481
Energy: 2.165917452392721
Energy: 2.1466503764200646
Energy: 2.263484269150292
Energy: 2.1466503764200646
Energy: 2.263251913981774
Energy: 2.1466503764200646
Energy: 2.263484269150292
Energy: 2.1466503764200646
Energy: 2.2585379821373515
Energy: 2.1731494369177233
Energy: 2.231962458817289
Energy: 2.1731494369177233
Energy: 2.201951405379507
Energy: 2.173149436918245
Energy: 2.2019514053789857
Energy: 2.211337185942025
Energy: 2.3300876619781645
Energy: 2.211337185942025
Energy: 2.3300876619781645
Energy: 2.2113371859415034
Energy: 2.3300876619781645
Energy: 2.211337185942025
Energy: 2.107698703254859
Energy: 2.1921103816246057
Energy: 2.10769295001046
Energy: 2.1301555823298925
Energy: 2.107698703254859
Energy: 2.1921103816240843
Energy: 2.10769295001046
Energy: 2.214837671996213
Energy: 2.2558176432521844
Energy: 2.2149117921574004
Energy: 2.25442768856054
Energy: 2.214837671996213
Energy: 2.2558176432521844
Energy: 2.2149117921574004
Energy: 2.3197146874827954
Energy: 2.226512202853919
Energy: 2.4276059151199982
Energy: 2.2265122028544404
Energy: 2.3129920878565766
Energy: 2.2265122028544404
Energy: 2.306428787741232
Energy: 2.177998714869703
Energy: 2.3083334854377306
Energy: 2.177998714869703
Energy: 2.3083334854377306
Energy: 2.177998714869703
Energy: 2.3083334854377306
Energy: 2.177998714869703
Energy: 2.1297051954453456
Energy: 2.1465977937501606
Energy: 2.1297051954453456
Energy: 2.1465977937501606
Energy: 2.1297051954453456
Energy: 2.1465977937501606
Energy: 2.1297051954453456
Energy: 2.2873832325550776
Energy: 2.2075899103863152
Energy: 2.211292241199613
Energy: 2.207714729969942
Energy: 2.2873832317333163
Energy: 2.2075899103884002
Energy: 2.2112922411990916
Energy: 2.266967114210766
Energy: 2.2136258041478927
Energy: 2.233064846042641
Energy: 2.2136258041478927
Energy: 2.266967114210766
Energy: 2.2136258041478927
Energy: 2.2527786650745507
Energy: 2.128946440764774
Energy: 2.294139533090029
Energy: 2.1293550430059907
Energy: 2.2941410076565463
Energy: 2.128946440764774
Energy: 2.294139533090029
Energy: 2.1293550430059907
Energy: 2.148339908624743
Energy: 2.165981667196582
Energy: 2.148099759749874
Energy: 2.1657480060182297
Energy: 2.148339908624743
Energy: 2.165981667196582
Energy: 2.148099759749874
Energy: 2.2774739808870406
Energy: 2.3888357878102697
Energy: 2.2774739808870406
Energy: 2.362770151629338
Energy: 2.2774739808870406
Energy: 2.3888357878102697
Energy: 2.2774739808870406
Energy: 2.3518046608367866
Energy: 2.3668383948825764
Energy: 2.361366318062086
Energy: 2.366961376817684
Energy: 2.3518046608367866
Energy: 2.3668383948825764
Energy: 2.361366318062086
Energy: 2.122200051311564
Energy: 2.206453908011439
Energy: 2.122200051311564
Energy: 2.206453908011439
Energy: 2.122200051311564
Energy: 2.206453908011439
Energy: 2.122200051311564

minimum gb energy = 2.10769295001046 eV
minimum distance =  2.45822837848405 Angstroms
sigma value = 39


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

Energy: 2.115862485817646
Energy: 2.2185519541496115
Energy: 2.115862485818261
Energy: 2.2185519541496115
Energy: 2.115862485817646
Energy: 2.2185519541496115
Energy: 2.1158624858188766
Energy: 2.2936217675975965
Energy: 2.004728553838938
Energy: 2.293621767598212
Energy: 2.0047285538395534
Energy: 2.2936217675975965
Energy: 2.0047285538395534
Energy: 2.2936217675975965
Energy: 2.059212832118137
Energy: 2.0051913054203476
Energy: 2.059212832118137
Energy: 2.0051913054203476
Energy: 2.059212832118137
Energy: 2.0051913054203476
Energy: 2.059212832118752
Energy: 2.33236494698117
Energy: 2.012978901280943
Energy: 2.33236494698117
Energy: 2.012978901280943
Energy: 2.33236494698117
Energy: 2.012978901280943
Energy: 2.33236494698117
Energy: 2.298949158780504
Energy: 2.0162077960298705
Energy: 2.2989491587798887
Energy: 2.0162077960298705
Energy: 2.2989491587798887
Energy: 2.0162077960298705
Energy: 2.2989491587798887
Energy: 2.285050912841249
Energy: 2.073414447796752
Energy: 2.285050912841249
Energy: 2.073414447796752
Energy: 2.285050912841249
Energy: 2.073414447796752
Energy: 2.285050912841249
Energy: 2.338461012415704
Energy: 2.07783711465362
Energy: 2.2939726529749067
Energy: 2.077837114653005
Energy: 2.2939726529749067
Energy: 2.077837114653005
Energy: 2.2939726529749067
Energy: 2.1175757932154085
Energy: 2.0764123255266598
Energy: 2.117575793214793
Energy: 2.0764123255266598
Energy: 2.1175757932154085
Energy: 2.0764123255266598
Energy: 2.117575793214793
Energy: 2.347402678258028
Energy: 2.079692956955726
Energy: 2.3474026782574127
Energy: 2.079692956955726
Energy: 2.347402678258028
Energy: 2.079692956955726
Energy: 2.3474026782574127
Energy: 2.053021369613909
Energy: 2.176619846735154
Energy: 2.053021369613294
Energy: 2.1766198467357696
Energy: 2.053021369613909
Energy: 2.1766198467357696
Energy: 2.053021369613294
Energy: 2.2938342179308706
Energy: 2.1530811232843767
Energy: 2.2938342179308706
Energy: 2.1530811232843767
Energy: 2.2938342179302555
Energy: 2.1530811232843767
Energy: 2.2938342179308706
Energy: 2.059136867291315
Energy: 2.004524447788468
Energy: 2.0591368672907
Energy: 2.004524447788468
Energy: 2.059136867291315
Energy: 2.0045244477890836
Energy: 2.059136867291315
Energy: 2.004443847211706
Energy: 2.0069850454773217
Energy: 2.004443847211706
Energy: 2.0069850454773217
Energy: 2.0044438472123214
Energy: 2.0069850454773217
Energy: 2.004443847211706
Energy: 2.055732473204313
Energy: 2.003598805044149
Energy: 2.055732473204313
Energy: 2.0035988050435343
Energy: 2.055732473204313
Energy: 2.003598805044149
Energy: 2.055732473204313
Energy: 2.2790564574263796
Energy: 2.102467134436199
Energy: 2.243027420625948
Energy: 2.1024671344368144
Energy: 2.243027420625948
Energy: 2.1024671344368144
Energy: 2.243027420625948
Energy: 2.0553126836460214
Energy: 2.0728069986067497
Energy: 2.0553126836460214
Energy: 2.0728069986067497
Energy: 2.0553126836454063
Energy: 2.0728069986067497
Energy: 2.0553126836454063
Energy: 2.3414704488927995
Energy: 2.0779106688832
Energy: 2.3414704488927995
Energy: 2.0779106688825846
Energy: 2.3414704488927995
Energy: 2.0779106688832
Energy: 2.3414704488927995
Energy: 2.1177940084390356
Energy: 2.0820901929301727
Energy: 2.1177940084390356
Energy: 2.082090192930788
Energy: 2.1177940084390356
Energy: 2.082090192930788
Energy: 2.1177940084390356
Energy: 2.1443963819154286
Energy: 2.139958820186259
Energy: 2.1443963808478186
Energy: 2.139958820186259
Energy: 2.1443963806626773
Energy: 2.139958820186259
Energy: 2.1443963807494306
Energy: 2.0548669069887797
Energy: 2.175720356689492
Energy: 2.0548669069887797
Energy: 2.175720356689492
Energy: 2.054866906988164
Energy: 2.1757203566901064
Energy: 2.054866906988164
Energy: 2.2963159161590685
Energy: 2.0091534864679703
Energy: 2.2963159161590685
Energy: 2.0091534864679703
Energy: 2.2963159161596836
Energy: 2.0091534864685854
Energy: 2.2963159161596836
Energy: 2.0589841450330413
Energy: 2.0118644645449177
Energy: 2.0589841450330413
Energy: 2.0118644645449177
Energy: 2.058984145032426
Energy: 2.0118644645449177
Energy: 2.058984145032426
Energy: 2.1507679818157825
Energy: 2.0781568423563828
Energy: 2.150767985047027
Energy: 2.0781568423563828
Energy: 2.150767981506468
Energy: 2.0781568423563828
Energy: 2.1507679814043885
Energy: 2.288429659830692
Energy: 2.005374027260481
Energy: 2.288429659830692
Energy: 2.005374027260481
Energy: 2.288429659830692
Energy: 2.005374027260481
Energy: 2.2884296598313068
Energy: 2.2971505403058283
Energy: 2.080017759098616
Energy: 2.2971505403058283
Energy: 2.080017759098616
Energy: 2.2971505403058283
Energy: 2.080017759098616
Energy: 2.2971505403058283
Energy: 2.2951063884675316
Energy: 2.077820226612283
Energy: 2.2951063884675316
Energy: 2.077820226611668
Energy: 2.2951063884675316
Energy: 2.077820226611668
Energy: 2.2951063884675316
Energy: 2.118428241860354
Energy: 2.0782576782528124
Energy: 2.118428241860354
Energy: 2.0782576782528124
Energy: 2.118428241860354
Energy: 2.0782576782528124
Energy: 2.118428241860354
Energy: 2.294012492481621
Energy: 2.0807200141752387
Energy: 2.294012492481621
Energy: 2.080720014175854
Energy: 2.294012492481621
Energy: 2.0807200141752387
Energy: 2.294012492481621
Energy: 2.115862485818261
Energy: 2.2185519541496115
Energy: 2.115862485818261
Energy: 2.2185519541496115
Energy: 2.115862485818261
Energy: 2.2185519541496115
Energy: 2.115862485817646
Energy: 2.2936217675975965
Energy: 2.004728553838938
Energy: 2.2936217675975965
Energy: 2.004728553838938
Energy: 2.293621767598212
Energy: 2.004728553838938
Energy: 2.293621767598212

minimum gb energy = 2.0035988050435343 eV
minimum distance =  2.44797656132399 Angstroms
sigma value = 21


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

Energy: 2.042562618369716
Energy: 2.062661451508364
Energy: 2.042562618369716
Energy: 2.062661451508364
Energy: 2.042562618369716
Energy: 2.062661451508364
Energy: 2.042562618369716
Energy: 1.9887587288697728
Energy: 1.9284589497476594
Energy: 1.9887587288697728
Energy: 1.9284589497476594
Energy: 1.9887587288697728
Energy: 1.9284589497476594
Energy: 1.9887587288705195
Energy: 1.961053441305693
Energy: 2.0374933909595647
Energy: 1.961053441305693
Energy: 2.0374933909588173
Energy: 1.961053441305693
Energy: 2.0374933909588173
Energy: 1.961053441304946
Energy: 1.8950756580894814
Energy: 1.9394302072009761
Energy: 1.8950756580894814
Energy: 1.9394302072009761
Energy: 1.8950756580902286
Energy: 1.9394302072009761
Energy: 1.8950756580894814
Energy: 1.8967129799331144
Energy: 1.8716196298211885
Energy: 1.8967129799331144
Energy: 1.8716196298211885
Energy: 1.8967129799331144
Energy: 1.8716196298211885
Energy: 1.8967129799331144
Energy: 1.9255404665791354
Energy: 1.9889400529186212
Energy: 1.9255404665791354
Energy: 1.9889400529186212
Energy: 1.9255404665791354
Energy: 1.9889400529186212
Energy: 1.9255404665791354
Energy: 1.8669066725763703
Energy: 2.300886071767549
Energy: 1.8669066725763703
Energy: 2.300886071767549
Energy: 1.8669066725763703
Energy: 2.300886071767549
Energy: 1.8669066725763703
Energy: 1.9094750122988986
Energy: 1.9350658022168172
Energy: 1.9094750122988986
Energy: 1.9350658022168172
Energy: 1.9094750122988986
Energy: 1.9350658022168172
Energy: 1.9094750122988986
Energy: 1.902600782161827
Energy: 1.9252823296494939
Energy: 1.9026007821610798
Energy: 1.9252823296494939
Energy: 1.902600782161827
Energy: 1.9252823296494939
Energy: 1.902600782161827
Energy: 1.9039208992948857
Energy: 2.2987044706050463
Energy: 1.9039208992948857
Energy: 2.2987044706050463
Energy: 1.9039208992948857
Energy: 2.2987044706050463
Energy: 1.9039208992948857
Energy: 1.8569711402134055
Energy: 1.9339690767017748
Energy: 1.8569711402119116
Energy: 1.9339690767017748
Energy: 1.8569711402126587
Energy: 1.9339690767017748
Energy: 1.8569711402119116
Energy: 1.8842489386418464
Energy: 1.8981601869546303
Energy: 1.8842489386418464
Energy: 1.8981601869546303
Energy: 1.8842489386418464
Energy: 1.8981601869546303
Energy: 1.8842489386418464
Energy: 1.9039883646667006
Energy: 1.925774482300174
Energy: 1.9039883646667006
Energy: 1.925774482300174
Energy: 1.9039883646667006
Energy: 1.9257744823009209
Energy: 1.9039883646667006
Energy: 1.9987668851123221
Energy: 2.2909950361229203
Energy: 1.9987668851115754
Energy: 2.2909950361229203
Energy: 1.9987668851115754
Energy: 2.2909950361229203
Energy: 1.9987668851123221
Energy: 1.9466826833647153
Energy: 1.9341552051235882
Energy: 1.9466826833647153
Energy: 1.9341552051235882
Energy: 1.9466826833647153
Energy: 1.9341552051235882
Energy: 1.9466826833647153
Energy: 2.0122671581347213
Energy: 1.961260918541649
Energy: 2.0122671581347213
Energy: 1.9612609185409022
Energy: 2.0122671581347213
Energy: 1.9612609185409022
Energy: 2.0122671581347213
Energy: 1.9722816956510394
Energy: 1.9497936937925546
Energy: 1.9722816956510394
Energy: 1.9497936937925546
Energy: 1.9722816956510394
Energy: 1.9497936937925546
Energy: 1.9722816956510394
Energy: 1.962457166271982
Energy: 2.290610882643633
Energy: 1.962457166271982
Energy: 2.290610882643633
Energy: 1.962457166271982
Energy: 2.290610882643633
Energy: 1.962457166271982
Energy: 1.9098014326495067
Energy: 1.9340095971837958
Energy: 1.9098014326502537
Energy: 1.9340095971837958
Energy: 1.9098014326495067
Energy: 1.9340095971830487
Energy: 1.9098014326502537
Energy: 1.884249799596995
Energy: 1.8731166770773044
Energy: 1.884249799596995
Energy: 1.8731166770773044
Energy: 1.884249799596248
Energy: 1.8731166770773044
Energy: 1.884249799596248
Energy: 1.9039418759305085
Energy: 1.9838234239118515
Energy: 1.9039418759305085
Energy: 1.9838234239118515
Energy: 1.9039418759305085
Energy: 1.9838234239118515
Energy: 1.9039418759305085
Energy: 1.8668064689359896
Energy: 2.317573354875063
Energy: 1.8668064689359896
Energy: 2.317573354875063
Energy: 1.8668064689359896
Energy: 2.317573354875063
Energy: 1.8668064689359896
Energy: 1.9033715427519784
Energy: 1.9350603159868094
Energy: 1.9033715427519784
Energy: 1.9350603159868094
Energy: 1.9033715427527251
Energy: 1.9350603159868094
Energy: 1.9680149029734537
Energy: 1.9033802720655975
Energy: 1.87211872990828
Energy: 1.9033802720655975
Energy: 1.872118729909027
Energy: 1.9033802720655975
Energy: 1.87211872990828
Energy: 1.9033802720655975
Energy: 1.9040839922475945
Energy: 1.9742454557697948
Energy: 1.9040839922475945
Energy: 1.9742454557697948
Energy: 1.9040839922475945
Energy: 1.9742454557697948
Energy: 1.9040839922475945

minimum gb energy = 1.8569711402119116 eV
minimum distance =  2.52468710491189 Angstroms
sigma value = 113


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

Energy: 1.7748451554963682
Energy: 2.14937979698008
Energy: 1.7748451555009914
Energy: 2.14937979698008
Energy: 1.7748451554963682
Energy: 2.14937979698008
Energy: 1.7748451554963682
Energy: 1.7659923014347736
Energy: 1.777004195745695
Energy: 1.7659923014472794
Energy: 1.777004195745695
Energy: 1.7659923014347736
Energy: 1.777004195745695
Energy: 1.7659923014347736
Energy: 1.7604344393369724
Energy: 1.7671242799447575
Energy: 1.7604344393369724
Energy: 1.7671242799447575
Energy: 1.7604344393369724
Energy: 1.7671242799447575
Energy: 1.7604344393369724
Energy: 1.7674368934773337
Energy: 1.7649718208909804
Energy: 1.7674368934773337
Energy: 1.7649718208909804
Energy: 1.7674368934773337
Energy: 1.7649718208909804
Energy: 1.7674368934773337
Energy: 1.754144109050763
Energy: 2.09971749937417
Energy: 1.754144109050763
Energy: 2.09971749937417
Energy: 1.754144109050763
Energy: 2.09971749937417
Energy: 1.754144109050763
Energy: 1.7863747659476397
Energy: 1.7377749328009857
Energy: 1.7863747659518083
Energy: 1.7377749328009857
Energy: 1.7863747659518083
Energy: 1.7377749328009857
Energy: 1.7863747659476397
Energy: 1.7156948922297266
Energy: 1.8784763692839543
Energy: 1.7156948922297266
Energy: 1.8784763692839543
Energy: 1.7156948922297266
Energy: 1.8784763692839543
Energy: 1.7156948922297266
Energy: 1.7313145845334577
Energy: 1.706608984499732
Energy: 1.7313145845334577
Energy: 1.706608984499732
Energy: 1.7313145845334577
Energy: 1.706608984499732
Energy: 1.7313145845334577
Energy: 1.6987685386768756
Energy: 2.0282368581251022
Energy: 1.6987685386768756
Energy: 2.0282368581251022
Energy: 1.6987685386768756
Energy: 2.0282368581251022
Energy: 1.6987685386768756
Energy: 1.750422296631062
Energy: 1.6717846611348606
Energy: 1.750422296635231
Energy: 1.6717846611348606
Energy: 1.750422296631062
Energy: 1.6717846611348606
Energy: 1.750422296631062
Energy: 1.7017888709494104
Energy: 1.6635706561859502
Energy: 1.7017888709494104
Energy: 1.6635706561859502
Energy: 1.7017888709494104
Energy: 1.6635706561859502
Energy: 1.7017888709494104
Energy: 1.7136993519639456
Energy: 1.6838166704615565
Energy: 1.7136993519639456
Energy: 1.6838166704615565
Energy: 1.7136993519639456
Energy: 1.6838166704615565
Energy: 1.7136993519639456
Energy: 1.6586806939427263
Energy: 2.0320981794393567
Energy: 1.6586806939427263
Energy: 2.0320981794393567
Energy: 1.6586806939427263
Energy: 2.0320981794393567
Energy: 1.6586806939427263
Energy: 1.6976383653244973
Energy: 1.6194725466039837
Energy: 1.6976383653244973
Energy: 1.6194725466039837
Energy: 1.6976383653244973
Energy: 1.6194725466039837
Energy: 1.6976383653244973
Energy: 1.6762632372712474
Energy: 1.6502751476857496
Energy: 1.6762632372712474
Energy: 1.6502751476857496
Energy: 1.6762632372712474
Energy: 1.6502751476857496
Energy: 1.6762632372712474
Energy: 1.6462489654370331
Energy: 1.922479733482251
Energy: 1.6462489654370331
Energy: 1.922479733482251
Energy: 1.646248965441202
Energy: 1.922479733482251
Energy: 1.6462489654370331
Energy: 1.618442569277053
Energy: 1.6790326651701668
Energy: 1.618442569277053
Energy: 1.6790326651701668
Energy: 1.618442569277053
Energy: 1.6790326651701668
Energy: 1.618442569277053
Energy: 1.6375658761021847
Energy: 1.640185011877344
Energy: 1.6375658761063527
Energy: 1.640185011877344
Energy: 1.6375658761021847
Energy: 1.640185011877344
Energy: 1.6375658761021847
Energy: 1.7148186398089458
Energy: 1.6148021348286004
Energy: 1.7148186398089458
Energy: 1.6148021348286004
Energy: 1.7148186398089458
Energy: 1.6148021348286004
Energy: 1.7148186398089458
Energy: 1.685291402909719
Energy: 1.9319318513305315
Energy: 1.685291402909719
Energy: 1.9319318513305315
Energy: 1.685291402909719
Energy: 1.9319318513305315
Energy: 1.685291402909719
Energy: 1.642766006155154
Energy: 1.6262115236695989
Energy: 1.642766006155154
Energy: 1.6262115236695989
Energy: 1.642766006155154
Energy: 1.6262115236737673
Energy: 1.642766006155154
Energy: 1.6520282846850123
Energy: 1.6254688659664678
Energy: 1.6520282846850123
Energy: 1.6254688659664678
Energy: 1.6520282846850123
Energy: 1.6254688659664678
Energy: 1.6520282846850123
Energy: 1.7067893811391324
Energy: 1.6538323213553163
Energy: 1.7067893811391324
Energy: 1.6538323213553163
Energy: 1.7067893811391324
Energy: 1.6538323213553163
Energy: 1.7067893811391324
Energy: 1.6355478189962436
Energy: 2.0036905065811075
Energy: 1.6355478189962436
Energy: 2.0036905065811075
Energy: 1.6355478189920754
Energy: 2.0036905065811075
Energy: 1.6355478189920754
Energy: 1.8058978425456875
Energy: 1.6945701937861128
Energy: 1.8058978425456875
Energy: 1.6945701937861128
Energy: 1.8058978425456875
Energy: 1.6945701937861128
Energy: 1.8058978425456875
Energy: 1.719300178174402
Energy: 1.640053575484145
Energy: 1.719300178174402
Energy: 1.640053575484145
Energy: 1.719300178174402
Energy: 1.640053575484145
Energy: 1.719300178174402
Energy: 1.777450108582161
Energy: 1.8776673453757295
Energy: 1.777450108582161
Energy: 1.8776673453757295
Energy: 1.777450108582161
Energy: 1.8776673453757295
Energy: 1.777450108582161
Energy: 1.712221147220079
Energy: 2.047412028095052
Energy: 1.712221147220079
Energy: 2.047412028095052
Energy: 1.712221147220079
Energy: 2.047412028095052
Energy: 1.712221147220079
Energy: 1.8960275556803559
Energy: 1.7508379414635642
Energy: 1.8960275556803559
Energy: 1.7508379414635642
Energy: 1.8960275556803559
Energy: 1.7508379414635642
Energy: 1.8960275556803559
Energy: 1.7167769001780102
Energy: 1.7003028715914488
Energy: 1.7167769001780102
Energy: 1.7003028715914488
Energy: 1.7167769001780102
Energy: 1.7003028715914488
Energy: 1.7167769001780102
Energy: 1.7663296912227868
Energy: 1.927499428089032
Energy: 1.7663296912227868
Energy: 1.927499428089032
Energy: 1.7663296912227868
Energy: 1.927499428089032
Energy: 1.7663296912227868
Energy: 1.692054732081857
Energy: 2.0494691640473284
Energy: 1.692054732081857
Energy: 2.0494691640473284
Energy: 1.692054732081857
Energy: 2.0494691640473284
Energy: 1.692054732081857
Energy: 1.8704981691249252
Energy: 1.732341203428989
Energy: 1.8704981691249252
Energy: 1.732341203428989
Energy: 1.8704981691249252
Energy: 1.732341203428989
Energy: 1.8704981691249252
Energy: 1.6911971312312268
Energy: 1.6848797517429122
Energy: 1.6911971312270584
Energy: 1.6848797517429122
Energy: 1.6911971312312268
Energy: 1.6848797517429122
Energy: 1.6911971312270584
Energy: 1.730420910249976
Energy: 1.8820317923710732
Energy: 1.730420910249976
Energy: 1.8820317923710732
Energy: 1.730420910249976
Energy: 1.8820317923710732
Energy: 1.730420910249976
Energy: 1.6553440678416125
Energy: 1.977171516450365
Energy: 1.6553440678416125
Energy: 1.977171516450365
Energy: 1.6553440678416125
Energy: 1.977171516450365
Energy: 1.6553440678416125
Energy: 1.8222802770534776
Energy: 1.6785632738268543
Energy: 1.8222802770534776
Energy: 1.6785632738268543
Energy: 1.8222802770534776
Energy: 1.6785632738268543
Energy: 1.8222802770534776
Energy: 1.6717965823830498
Energy: 1.6636430386316308
Energy: 1.6717965823830498
Energy: 1.6636430386316308
Energy: 1.6717965823830498
Energy: 1.6636430386316308
Energy: 1.6717965823830498
Energy: 1.7177712746007776
Energy: 1.6664395710486728
Energy: 1.7177712746007776
Energy: 1.6664395710486728
Energy: 1.7177712746007776
Energy: 1.6664395710486728
Energy: 1.7177712746007776
Energy: 1.657999091183478
Energy: 1.9908921139087932
Energy: 1.657999091183478
Energy: 1.9908921139087932
Energy: 1.657999091183478
Energy: 1.9908921139087932
Energy: 1.657999091183478
Energy: 1.634916574083806
Energy: 1.6271730309809043
Energy: 1.634916574083806
Energy: 1.6271730309809043
Energy: 1.634916574083806
Energy: 1.6271730309809043
Energy: 1.634916574083806
Energy: 1.6898837190315106
Energy: 1.6491257034003712
Energy: 1.6898837190315106
Energy: 1.6491257034003712
Energy: 1.6898837190315106
Energy: 1.6491257034003712
Energy: 1.6898837190315106
Energy: 1.6467285403714516
Energy: 1.9226388683420998
Energy: 1.6467285403714516
Energy: 1.9226388683420998
Energy: 1.6467285403714516
Energy: 1.9226388683420998
Energy: 1.6467285403714516
Energy: 1.6205321717579548
Energy: 1.6724363063502867
Energy: 1.6205321717579548
Energy: 1.6724363063502867
Energy: 1.6205321717579548
Energy: 1.6724363063502867
Energy: 1.6205321717579548
Energy: 1.6373266000643372
Energy: 1.6496107435077958
Energy: 1.6373266000643372
Energy: 1.6496107435077958
Energy: 1.6373266000643372
Energy: 1.6496107435077958
Energy: 1.6373266000643372

minimum gb energy = 1.6148021348286004 eV
minimum distance =  2.52400391438827 Angstroms
sigma value = 365


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

Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 3.4821712197625145
Energy: 1.9399522090898793
Energy: 3.2589850008811414
Energy: 1.9399522090908194
Energy: 3.2589850008811414
Energy: 1.9399522090898793
Energy: 3.2589850008811414
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 3.9446400379069075
Energy: 1.9399522090908194
Energy: 3.8341656208805537
Energy: 1.9399522090908194
Energy: 3.4821712197625145
Energy: 1.9399522090908194
Energy: 3.2589850008811414
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890220871
Energy: 0.7535576490647007
Energy: 3.519477430920352
Energy: 1.9399522090908194
Energy: 3.4821712197634547
Energy: 1.9399522090908194
Energy: 3.4821712197634547
Energy: 1.9399522090908194
Energy: 3.4821712197634547
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 3.2589850008820807
Energy: 1.9399522090898793
Energy: 3.2589850008820807
Energy: 1.9399522090898793
Energy: 3.2589850008811414
Energy: 1.9399522090908194
Energy: 3.2589850008811414
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 3.4821712197634547
Energy: 1.9399522090898793
Energy: 3.519477430920352
Energy: 1.9399522090898793
Energy: 3.4821712197634547
Energy: 1.9399522090898793
Energy: 3.2589850008811414
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 3.2589850008811414
Energy: 1.9399522090908194
Energy: 3.2589850008811414
Energy: 1.9399522090908194
Energy: 3.2589850008811414
Energy: 1.9399522090908194
Energy: 3.2589850008811414
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 3.2589850008811414
Energy: 1.9399522090908194
Energy: 3.2589850008811414
Energy: 1.9399522090898793
Energy: 3.2589850008811414
Energy: 1.9399522090908194
Energy: 3.2589850008811414
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490656406
Energy: 3.2589850008811414
Energy: 1.9399522090908194
Energy: 3.2589850008811414
Energy: 1.9399522090908194
Energy: 3.2589850008811414
Energy: 1.9399522090908194
Energy: 3.2589850008811414
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 3.2589850008811414
Energy: 1.9399522090898793
Energy: 3.2589850008811414
Energy: 1.9399522090898793
Energy: 3.2589850008811414
Energy: 1.9399522090898793
Energy: 3.2589850008811414
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 0.6919456890211472
Energy: 0.7535576490647007
Energy: 3.2589850008811414
Energy: 1.9399522090908194
Energy: 3.2589850008811414
Energy: 1.9399522090908194
Energy: 3.2589850008811414
Energy: 1.9399522090898793
Energy: 3.2589850008820807

minimum gb energy = 0.6919456890211472 eV
minimum distance =  2.4573856798815 Angstroms
sigma value = 23