Model name: model_name=Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_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=3.1599882096052174
cohesive_energy=5.130582657262978
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: -17.2757958404 eV

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

Energy: 0.015907944231366412
Energy: 0.3440872612777784
Energy: 0.015907944231366412
Energy: 0.34408726128105505
Energy: 0.015907944231366412
Energy: 0.3440872612777784
Energy: 0.015907944231366412
Energy: 0.017048110636924133
Energy: 0.7355966177823862
Energy: 0.017048110636924133
Energy: 0.7355966177823862
Energy: 0.017048110636924133
Energy: 0.7355966177823862
Energy: 0.017048110636924133
Energy: 1.7383210338446504
Energy: 0.6135582945580932
Energy: 2.080075023667638
Energy: 0.6135582945580932
Energy: 0.01750646360539196
Energy: 0.6135582945580932
Energy: 0.01750646360539196
Energy: 0.017048110636924133
Energy: 0.7355966177823862
Energy: 0.017048110636924133
Energy: 0.7355966177823862
Energy: 0.017048110636924133
Energy: 0.7355966177823862
Energy: 0.017048110636924133
Energy: 0.015907944231366412
Energy: 0.3440872612777784
Energy: 0.015907944231366412
Energy: 0.3440872612777784
Energy: 0.015907944231366412
Energy: 0.3440872612777784
Energy: 0.015907944231366412
Energy: 0.017048110636924133
Energy: 0.7355966177823862
Energy: 0.017048110636924133
Energy: 0.7355966177823862
Energy: 0.017048110636924133
Energy: 0.7355966177823862
Energy: 0.017048110636924133

minimum gb energy = 0.015907944231366412 eV
minimum distance =  2.73067322755474 Angstroms
sigma value = 5


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

Energy: 2.351428626236933
Energy: 2.3558177076360485
Energy: 2.351428626236933
Energy: 2.355817707784088
Energy: 2.351428626236933
Energy: 2.3558177078321245
Energy: 2.351428626236933
Energy: 2.360025541740416
Energy: 2.2381642301388713
Energy: 2.360025541740416
Energy: 2.2381642301388713
Energy: 2.360025541740416
Energy: 2.2381642301388713
Energy: 2.360025541740416
Energy: 2.1235063734319946
Energy: 2.189081900006261
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Energy: 2.189081900006261
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Energy: 2.189081900006261
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Energy: 2.1798504889420904
Energy: 2.2463040253430453
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Energy: 2.2463040253430453
Energy: 2.1798504889420904
Energy: 2.2463040253430453
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Energy: 2.17120669701004
Energy: 2.3089018418162093
Energy: 2.17120669701004
Energy: 2.3089018418162093
Energy: 2.17120669701004
Energy: 2.3089018418162093
Energy: 2.17120669701004
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Energy: 2.342927293843661
Energy: 2.288630659929132
Energy: 2.342927293843661
Energy: 2.288630659929132
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Energy: 2.288630659929132
Energy: 2.2885096891297945
Energy: 2.3480079142176358
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Energy: 2.3480079142176358
Energy: 2.2885096891297945
Energy: 2.3480079142176358
Energy: 2.2885096891297945
Energy: 2.214162858272251
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Energy: 2.214162858272251
Energy: 2.2747311971595763
Energy: 2.214162858272251
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Energy: 2.214162858272251
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Energy: 2.2670262084298796
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Energy: 2.143004805122713
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Energy: 2.143004805122713
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Energy: 2.1851082842423706
Energy: 2.33236750362747
Energy: 2.1851082842423706
Energy: 2.33236750362747
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Energy: 2.1314561976092854
Energy: 2.2702987610404413
Energy: 2.1314561976092854
Energy: 2.1743148115757887
Energy: 2.2671359784743683
Energy: 2.174314811571785
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Energy: 2.174314811571785
Energy: 2.2671359784743683
Energy: 2.174314811571785
Energy: 2.1382693085991558
Energy: 2.2641884677088204
Energy: 2.1382693086031583
Energy: 2.2641884677088204
Energy: 2.1382693085991558
Energy: 2.2641884677088204
Energy: 2.1382693086031583
Energy: 2.292201852653987
Energy: 2.270962458053989
Energy: 2.292201852653987
Energy: 2.270962458053989
Energy: 2.292201852653987
Energy: 2.270962458057992
Energy: 2.292201852653987
Energy: 2.1703963211528228
Energy: 2.240247387186861
Energy: 2.1703963211528228
Energy: 2.240247387186861
Energy: 2.1703963211528228
Energy: 2.240247387186861
Energy: 2.1703963211528228
Energy: 2.250719759985653
Energy: 2.199531827678202
Energy: 2.250719759985653
Energy: 2.199531827678202
Energy: 2.250719759985653
Energy: 2.199531827678202
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Energy: 2.232403917104623
Energy: 2.1305281931641913
Energy: 2.232403917104623
Energy: 2.1305281931641913
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Energy: 2.125318444723234
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Energy: 2.125318444723234
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Energy: 2.1927777430358497
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Energy: 2.1927777430358497
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Energy: 2.1962539513889308
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Energy: 2.1962539513889308
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Energy: 2.1962539513889308
Energy: 2.2248837047986263
Energy: 2.343050862022722
Energy: 2.2248837047986263
Energy: 2.343050862026725
Energy: 2.2248837047986263
Energy: 2.343050862022722
Energy: 2.2248837047986263
Energy: 2.271278949789564
Energy: 2.47399869835352
Energy: 2.271278949785561
Energy: 2.47399869835352
Energy: 2.271278949789564
Energy: 2.47399869835352
Energy: 2.271278949789564
Energy: 2.1179666605460583
Energy: 2.2866540955750425
Energy: 2.1179666605460583
Energy: 2.2866540955750425
Energy: 2.1179666605460583
Energy: 2.2866540955750425
Energy: 2.1179666605460583
Energy: 2.297961550080029
Energy: 2.2461419194702663
Energy: 2.297961550080029
Energy: 2.2461419194702663
Energy: 2.297961550080029
Energy: 2.2461419194702663
Energy: 2.297961550080029
Energy: 2.1400925343512576
Energy: 2.2016626312085745
Energy: 2.1400925343512576
Energy: 2.2016626312085745
Energy: 2.1400925343512576
Energy: 2.2016626312085745
Energy: 2.1400925343512576
Energy: 2.187573154506397
Energy: 2.3873557404406456
Energy: 2.187573154506397
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Energy: 2.187573154506397
Energy: 2.3873557404406456
Energy: 2.187573154506397
Energy: 2.1698296944265247
Energy: 2.409467700887073
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Energy: 2.409467700887073
Energy: 2.1698296944265247
Energy: 2.409467700887073
Energy: 2.1698296944305278
Energy: 2.2538861972272684
Energy: 2.1853449281776363
Energy: 2.2538861972272684
Energy: 2.1853449281776363
Energy: 2.2538861972272684
Energy: 2.1853449281816393
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Energy: 2.1406130083986645
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Energy: 2.1406130083986645
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Energy: 2.1406130083986645
Energy: 2.178064927023061
Energy: 2.1406130083986645
Energy: 2.1648782068686696
Energy: 2.262769675344557
Energy: 2.1648782068686696
Energy: 2.262769675344557
Energy: 2.1648782068686696
Energy: 2.262769675344557
Energy: 2.1648782068686696
Energy: 2.1953496838247144
Energy: 2.327426211516271
Energy: 2.1953496838247144
Energy: 2.327426211516271
Energy: 2.1953496838247144
Energy: 2.327426211516271
Energy: 2.1953496838247144
Energy: 2.269008743253641
Energy: 2.3483660811086158
Energy: 2.269008743253641
Energy: 2.3483660811086158
Energy: 2.269008743253641
Energy: 2.3483660811086158
Energy: 2.269008743253641
Energy: 2.27510711988132
Energy: 2.3072548699659916
Energy: 2.27510711988132
Energy: 2.3072548699659916
Energy: 2.27510711988132
Energy: 2.3072548699659916
Energy: 2.27510711988132
Energy: 2.196142985632362
Energy: 2.366872154177004
Energy: 2.196142985632362
Energy: 2.366872154177004
Energy: 2.196142985632362
Energy: 2.366872154177004
Energy: 2.196142985632362
Energy: 2.220612934441421
Energy: 2.252842883033542
Energy: 2.220612934441421
Energy: 2.252842883033542
Energy: 2.220612934441421
Energy: 2.252842883033542
Energy: 2.220612934441421
Energy: 2.120218416225119
Energy: 2.1331447701834247
Energy: 2.120218416225119
Energy: 2.1331447701834247
Energy: 2.120218416225119
Energy: 2.1331447701834247
Energy: 2.120218416225119
Energy: 2.259618068807084
Energy: 2.2306914053429994
Energy: 2.259618068807084
Energy: 2.2306914053429994
Energy: 2.259618068807084
Energy: 2.2306914053429994
Energy: 2.259618068807084
Energy: 2.214993896170948
Energy: 2.2783901018307517
Energy: 2.214993896170948
Energy: 2.2783901018307517
Energy: 2.214993896170948
Energy: 2.2783901018307517
Energy: 2.214993896170948
Energy: 2.1954221469798014
Energy: 2.340016815731253
Energy: 2.1954221469798014
Energy: 2.340016815731253
Energy: 2.1954221469798014
Energy: 2.340016815731253
Energy: 2.1954221469798014
Energy: 2.1319866878618723
Energy: 2.2821256060552524
Energy: 2.1319866878618723
Energy: 2.2821256060552524
Energy: 2.1319866878618723
Energy: 2.2821256060552524
Energy: 2.1319866878618723
Energy: 2.1341610046880684
Energy: 2.3031886497440675
Energy: 2.1341610046880684
Energy: 2.3031886497440675
Energy: 2.1341610046880684
Energy: 2.3031886497440675
Energy: 2.1341610046880684
Energy: 2.153077720012152
Energy: 2.1965453368247156
Energy: 2.153077720012152
Energy: 2.1965453368247156
Energy: 2.153077720012152
Energy: 2.1965453368247156
Energy: 2.153077720012152
Energy: 2.172989430908839
Energy: 2.269580157296604
Energy: 2.172989430908839
Energy: 2.269580157296604
Energy: 2.172989430908839
Energy: 2.269580157296604
Energy: 2.172989430908839

minimum gb energy = 2.1179666605460583 eV
minimum distance =  2.48882570638465 Angstroms
sigma value = 401


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

Energy: 2.4728266558009397
Energy: 2.1619367150321755
Energy: 2.4728266558009397
Energy: 2.1619367150321755
Energy: 2.4728266558009397
Energy: 2.1619367150321755
Energy: 2.4728266558009397
Energy: 2.1223921147327447
Energy: 2.1958873582461087
Energy: 2.1223921147327447
Energy: 2.1958873582461087
Energy: 2.1223921147327447
Energy: 2.1958873582461087
Energy: 2.1223921147327447
Energy: 2.1638272384842265
Energy: 2.1832452015791106
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Energy: 2.1832452015791106
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Energy: 2.1832452015791106
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Energy: 2.122102995793897
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Energy: 2.261970592655553
Energy: 2.122102995793897
Energy: 2.261970592655553
Energy: 2.122102995793897
Energy: 2.119953591950569
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Energy: 2.119953591950569
Energy: 2.2713459032728047
Energy: 2.119953591950569
Energy: 2.2713459032728047
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Energy: 2.2067159109103587
Energy: 2.23389772917237
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Energy: 2.23389772917237
Energy: 2.2067159109103587
Energy: 2.23389772917237
Energy: 2.2067159109103587
Energy: 2.207331522226164
Energy: 2.234160954856495
Energy: 2.207331522226164
Energy: 2.234160954856495
Energy: 2.207331522226164
Energy: 2.234160954856495
Energy: 2.207331522226164
Energy: 2.252656594285194
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Energy: 2.252656594285194
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Energy: 2.252656594285194
Energy: 2.248860848985463
Energy: 2.30205759327254
Energy: 2.248860848985463
Energy: 2.30205759327254
Energy: 2.248860848985463
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Energy: 2.2342667056350067
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Energy: 2.2342667056350067
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Energy: 2.156520111730483
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Energy: 2.120042512737778
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Energy: 2.120042512737778
Energy: 2.1223446761483693
Energy: 2.1350320211066482
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Energy: 2.1350320211066482
Energy: 2.1223446761483693
Energy: 2.1350320211066482
Energy: 2.1223446761483693
Energy: 2.4728266558009397
Energy: 2.1619367150321755
Energy: 2.4728266558009397
Energy: 2.1619367150321755
Energy: 2.4728266558009397
Energy: 2.1619367150321755
Energy: 2.4728266558009397
Energy: 2.1223921147327447
Energy: 2.1958873582461087
Energy: 2.1223921147327447
Energy: 2.1958873582461087
Energy: 2.1223921147327447
Energy: 2.1958873582461087
Energy: 2.1223921147327447
Energy: 2.1638272384842265
Energy: 2.1832452015791106
Energy: 2.1638272384842265
Energy: 2.1832452015791106
Energy: 2.1638272384842265
Energy: 2.1832452015791106
Energy: 2.1638272384842265
Energy: 2.122102995793897
Energy: 2.261970592655553
Energy: 2.122102995793897
Energy: 2.261970592655553
Energy: 2.122102995793897
Energy: 2.261970592655553
Energy: 2.122102995793897
Energy: 2.119953591950569
Energy: 2.2713459032728047
Energy: 2.119953591950569
Energy: 2.2713459032728047
Energy: 2.119953591950569
Energy: 2.2713459032728047
Energy: 2.119953591950569
Energy: 2.2067159109103587
Energy: 2.23389772917237
Energy: 2.2067159109103587
Energy: 2.23389772917237
Energy: 2.2067159109103587
Energy: 2.23389772917237
Energy: 2.2067159109103587
Energy: 2.207331522226164
Energy: 2.234160954856495
Energy: 2.207331522226164
Energy: 2.234160954856495
Energy: 2.207331522226164
Energy: 2.234160954856495
Energy: 2.207331522226164
Energy: 2.2526565942806505
Energy: 2.3015889678112966
Energy: 2.2526565942806505
Energy: 2.3015889678112966
Energy: 2.2526565942806505
Energy: 2.3015889678112966
Energy: 2.2526565942806505
Energy: 2.248860848985463
Energy: 2.30205759327254
Energy: 2.248860848985463
Energy: 2.30205759327254
Energy: 2.248860848985463
Energy: 2.30205759327254
Energy: 2.248860848985463
Energy: 2.154544625809137
Energy: 2.2342667056350067
Energy: 2.154544625809137
Energy: 2.2342667056350067
Energy: 2.154544625809137
Energy: 2.2342667056350067
Energy: 2.154544625809137
Energy: 2.156520111730483
Energy: 2.2333519546578993
Energy: 2.156520111730483
Energy: 2.2333519546578993
Energy: 2.156520111730483
Energy: 2.2333519546578993
Energy: 2.156520111730483
Energy: 2.120042512737778
Energy: 2.146821426725686
Energy: 2.120042512737778
Energy: 2.146821426725686
Energy: 2.120042512737778
Energy: 2.146821426725686
Energy: 2.120042512737778
Energy: 2.1223446761483693
Energy: 2.1350320211066482
Energy: 2.1223446761483693
Energy: 2.1350320211066482
Energy: 2.1223446761483693
Energy: 2.1350320211066482
Energy: 2.1223446761483693
Energy: 2.4728266558009397
Energy: 2.1619367150321755
Energy: 2.4728266558009397
Energy: 2.1619367150321755
Energy: 2.4728266558009397
Energy: 2.1619367150321755
Energy: 2.4728266558009397
Energy: 2.1223921147327447
Energy: 2.1958873582461087
Energy: 2.1223921147327447
Energy: 2.1958873582461087
Energy: 2.1223921147327447
Energy: 2.1958873582461087
Energy: 2.1223921147327447
Energy: 2.1638272384842265
Energy: 2.1832452015791106
Energy: 2.1638272384842265
Energy: 2.1832452015791106
Energy: 2.1638272384842265
Energy: 2.1832452015791106
Energy: 2.1638272384842265
Energy: 2.122102995793897
Energy: 2.261970592655553
Energy: 2.122102995793897
Energy: 2.261970592655553
Energy: 2.122102995793897
Energy: 2.261970592655553
Energy: 2.122102995793897
Energy: 2.119953591950569
Energy: 2.2713459032728047
Energy: 2.119953591950569
Energy: 2.2713459032728047
Energy: 2.119953591950569
Energy: 2.2713459032728047
Energy: 2.119953591950569
Energy: 2.2067159109103587
Energy: 2.23389772917237
Energy: 2.2067159109103587
Energy: 2.23389772917237
Energy: 2.2067159109103587
Energy: 2.23389772917237
Energy: 2.2067159109103587
Energy: 2.207331522226164
Energy: 2.234160954856495
Energy: 2.207331522226164
Energy: 2.234160954856495
Energy: 2.207331522226164
Energy: 2.234160954856495
Energy: 2.207331522226164
Energy: 2.2526565942806505
Energy: 2.3015889678112966
Energy: 2.2526565942806505
Energy: 2.3015889678112966
Energy: 2.2526565942806505
Energy: 2.3015889678112966
Energy: 2.2526565942806505
Energy: 2.248860848985463
Energy: 2.30205759327254
Energy: 2.248860848985463
Energy: 2.30205759327254
Energy: 2.248860848985463
Energy: 2.30205759327254
Energy: 2.248860848985463
Energy: 2.154544625809137
Energy: 2.2342667056350067
Energy: 2.154544625809137
Energy: 2.2342667056350067
Energy: 2.154544625809137
Energy: 2.2342667056350067
Energy: 2.154544625809137
Energy: 2.156520111730483
Energy: 2.2333519546578993
Energy: 2.156520111730483
Energy: 2.2333519546578993
Energy: 2.156520111730483
Energy: 2.2333519546578993
Energy: 2.156520111730483
Energy: 2.120042512737778
Energy: 2.146821426725686
Energy: 2.120042512737778
Energy: 2.146821426725686
Energy: 2.120042512737778
Energy: 2.146821426725686
Energy: 2.120042512737778
Energy: 2.1223446761483693
Energy: 2.1350320211066482
Energy: 2.1223446761483693
Energy: 2.1350320211066482
Energy: 2.1223446761483693
Energy: 2.1350320211066482
Energy: 2.1223446761483693
Energy: 2.4728266558009397
Energy: 2.1619367150321755
Energy: 2.4728266558009397
Energy: 2.1619367150321755
Energy: 2.4728266558009397
Energy: 2.1619367150321755
Energy: 2.4728266558009397
Energy: 2.1223921147327447
Energy: 2.1958873582461087
Energy: 2.1223921147327447
Energy: 2.1958873582461087
Energy: 2.1223921147327447
Energy: 2.1958873582461087
Energy: 2.1223921147327447

minimum gb energy = 2.119953591950569 eV
minimum distance =  2.52224530260658 Angstroms
sigma value = 311


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

Energy: 2.0690918846470794
Energy: 2.2629705037635626
Energy: 2.0690918846470794
Energy: 2.2629705037635626
Energy: 2.0690918846470794
Energy: 2.2629705037635626
Energy: 2.0690918846470794
Energy: 2.1348290549839652
Energy: 2.1481992615310084
Energy: 2.1348290549839652
Energy: 2.1481992615310084
Energy: 2.1348290549839652
Energy: 2.1481992615310084
Energy: 2.1348290549839652
Energy: 2.0447063236291245
Energy: 2.1565887883166392
Energy: 2.0447063236291245
Energy: 2.1565887883166392
Energy: 2.0447063236291245
Energy: 2.1565887883166392
Energy: 2.0447063236291245
Energy: 2.3294392185320336
Energy: 2.282293725585176
Energy: 2.3294392185320336
Energy: 2.282293725585176
Energy: 2.3294392185320336
Energy: 2.282293725585176
Energy: 2.3294392185320336
Energy: 2.287085536080573
Energy: 2.4051256804756616
Energy: 2.287085536080573
Energy: 2.4051256804756616
Energy: 2.287085536080573
Energy: 2.4051256804756616
Energy: 2.287085536080573
Energy: 2.17702714374829
Energy: 2.4862791350415367
Energy: 2.17702714374829
Energy: 2.4862791350415367
Energy: 2.17702714374829
Energy: 2.4862791350415367
Energy: 2.17702714374829
Energy: 2.198288927308074
Energy: 2.4783079677487687
Energy: 2.198288927308074
Energy: 2.4783079677487687
Energy: 2.198288927308074
Energy: 2.4783079677487687
Energy: 2.198288927308074
Energy: 2.2851940300175286
Energy: 2.3123610563720156
Energy: 2.2851940300175286
Energy: 2.3123610563720156
Energy: 2.2851940300175286
Energy: 2.3123610563720156
Energy: 2.2851940300175286
Energy: 2.2861898338305897
Energy: 2.3174448167291373
Energy: 2.2861898338305897
Energy: 2.3174448167291373
Energy: 2.2861898338305897
Energy: 2.3174448167291373
Energy: 2.2861898338305897
Energy: 2.0326291495812794
Energy: 2.3319692286351796
Energy: 2.0326291495812794
Energy: 2.3319692286351796
Energy: 2.0326291495812794
Energy: 2.3319692286351796
Energy: 2.0326291495812794
Energy: 2.0470534397005595
Energy: 2.3622251704925508
Energy: 2.0470534397005595
Energy: 2.3622251704925508
Energy: 2.0470534397005595
Energy: 2.3622251704925508
Energy: 2.0470534397005595
Energy: 2.3435860810877127
Energy: 2.4024701835090614
Energy: 2.3435860810877127
Energy: 2.4024701835090614
Energy: 2.3435860810877127
Energy: 2.4024701835090614
Energy: 2.3435860810877127
Energy: 2.283243963218964
Energy: 2.2820756306522902
Energy: 2.283243963218964
Energy: 2.2820756306522902
Energy: 2.283243963218964
Energy: 2.2820756306522902
Energy: 2.283243963218964
Energy: 2.168669713365576
Energy: 2.1959649372234895
Energy: 2.168669713365576
Energy: 2.1959649372234895
Energy: 2.168669713365576
Energy: 2.1959649372234895
Energy: 2.168669713365576
Energy: 2.2230980537413636
Energy: 2.34913980590538
Energy: 2.2230980537413636
Energy: 2.34913980590538
Energy: 2.2230980537413636
Energy: 2.34913980590538
Energy: 2.2230980537413636
Energy: 2.075574835895754
Energy: 2.331632250579253
Energy: 2.075574835895754
Energy: 2.331632250579253
Energy: 2.075574835895754
Energy: 2.331632250579253
Energy: 2.075574835895754
Energy: 2.1252624280458576
Energy: 2.1501747740745567
Energy: 2.1252624280458576
Energy: 2.1501747740745567
Energy: 2.1252624280458576
Energy: 2.1501747740745567
Energy: 2.1252624280458576
Energy: 2.0633581525706206
Energy: 2.1831471141459846
Energy: 2.0633581525706206
Energy: 2.1831471141459846
Energy: 2.0633581525706206
Energy: 2.1831471141459846
Energy: 2.0633581525706206
Energy: 2.4530333177117916
Energy: 2.463255427888969
Energy: 2.4832936704688597
Energy: 2.463255427888969
Energy: 2.4190144845244603
Energy: 2.463255427888969
Energy: 2.4190144845244603
Energy: 2.2972710844125697
Energy: 2.3790271441943487
Energy: 2.2972710844125697
Energy: 2.379027144199595
Energy: 2.2972710844125697
Energy: 2.379027144199595
Energy: 2.2972710844125697
Energy: 2.197849426575713
Energy: 2.194711284944623
Energy: 2.197849426575713
Energy: 2.194711284944623
Energy: 2.197849426575713
Energy: 2.194711284944623
Energy: 2.197849426575713
Energy: 2.1938961741564715
Energy: 2.3400907152134933
Energy: 2.1938961741564715
Energy: 2.3400907152134933
Energy: 2.1938961741564715
Energy: 2.3400907152134933
Energy: 2.1938961741564715
Energy: 2.285371540906803
Energy: 2.2577763148009136
Energy: 2.285371540906803
Energy: 2.2577763148009136
Energy: 2.285371540906803
Energy: 2.2577763148009136
Energy: 2.285371540906803
Energy: 2.2518305829053866
Energy: 2.373440646110815
Energy: 2.2518305829053866
Energy: 2.373440646110815
Energy: 2.2518305829053866
Energy: 2.373440646110815
Energy: 2.2518305829053866
Energy: 2.0475895247380875
Energy: 2.1449830415353635
Energy: 2.0475895247380875
Energy: 2.1449830415353635
Energy: 2.0475895247380875
Energy: 2.1449830415353635
Energy: 2.0475895247380875
Energy: 2.2337039115498603
Energy: 2.340712587915752
Energy: 2.2337039115498603
Energy: 2.340712587915752
Energy: 2.2337039115498603
Energy: 2.340712587915752
Energy: 2.2337039115498603
Energy: 2.412740507299506
Energy: 2.3998579115175054
Energy: 2.412740507299506
Energy: 2.3998579115175054
Energy: 2.412740507299506
Energy: 2.3998579115175054
Energy: 2.412740507299506
Energy: 2.3264568111240687
Energy: 2.483458490240277
Energy: 2.3264568111240687
Energy: 2.483458490240277
Energy: 2.3264568111240687
Energy: 2.483458490240277
Energy: 2.3264568111240687
Energy: 2.190577099308534
Energy: 2.1739542541559715
Energy: 2.190577099308534
Energy: 2.1739542541559715
Energy: 2.190577099308534
Energy: 2.1739542541559715
Energy: 2.190577099308534
Energy: 2.2520259360515222
Energy: 2.3509286555620186
Energy: 2.2520259360515222
Energy: 2.3509286555620186
Energy: 2.2520259360515222
Energy: 2.3509286555620186
Energy: 2.2520259360515222
Energy: 2.163319373202643
Energy: 2.3258698204467394
Energy: 2.163319373202643
Energy: 2.3258698204467394
Energy: 2.163319373202643
Energy: 2.3258698204467394
Energy: 2.163319373202643
Energy: 2.0528496116444677
Energy: 2.330293362270087
Energy: 2.0528496116444677
Energy: 2.330293362270087
Energy: 2.0528496116444677
Energy: 2.330293362270087
Energy: 2.0528496116444677
Energy: 2.0663021364981264
Energy: 2.0824077966974346
Energy: 2.0663021364981264
Energy: 2.0824077966974346
Energy: 2.0663021364981264
Energy: 2.0824077966974346
Energy: 2.0663021364981264
Energy: 2.354100026251483
Energy: 2.384114282241881
Energy: 2.354100026251483
Energy: 2.384114282241881
Energy: 2.354100026251483
Energy: 2.384114282241881
Energy: 2.354100026251483
Energy: 2.2515107753602512
Energy: 2.3505881949938425
Energy: 2.2515107753602512
Energy: 2.3505881949938425
Energy: 2.2515107753602512
Energy: 2.3505881949938425
Energy: 2.2515107753602512
Energy: 2.159213966698149
Energy: 2.2584092400363622
Energy: 2.159213966698149
Energy: 2.2584092400363622
Energy: 2.159213966698149
Energy: 2.2584092400363622
Energy: 2.159213966698149

minimum gb energy = 2.0326291495812794 eV
minimum distance =  2.44760574268532 Angstroms
sigma value = 39


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

Energy: 2.2490559454544905
Energy: 2.329905972080172
Energy: 2.2490559454544905
Energy: 2.329905972080172
Energy: 2.2490559454544905
Energy: 2.3299059720863644
Energy: 2.2490559454544905
Energy: 2.3275655799619916
Energy: 2.112630822449874
Energy: 2.3275655799619916
Energy: 2.112630822449874
Energy: 2.3275655799619916
Energy: 2.112630822449874
Energy: 2.3275655799619916
Energy: 2.1497148510296786
Energy: 2.2272728375394117
Energy: 2.1497148510296786
Energy: 2.2272728375394117
Energy: 2.1497148510296786
Energy: 2.2272728375394117
Energy: 2.1497148510296786
Energy: 2.3698702128088427
Energy: 2.1088942656455725
Energy: 2.3698702128088427
Energy: 2.1088942656455725
Energy: 2.3698702128088427
Energy: 2.1088942656455725
Energy: 2.3698702128088427
Energy: 2.3285849991874104
Energy: 2.112060703094359
Energy: 2.3285849991874104
Energy: 2.112060703094359
Energy: 2.3285849991874104
Energy: 2.112060703094359
Energy: 2.3285849991874104
Energy: 2.33160120070648
Energy: 2.143872833023933
Energy: 2.33160120070648
Energy: 2.143872833023933
Energy: 2.33160120070648
Energy: 2.143872833023933
Energy: 2.33160120070648
Energy: 2.2905677198420227
Energy: 2.142559876386993
Energy: 2.2101133844600382
Energy: 2.142559876386993
Energy: 2.4072307507632513
Energy: 2.142559876386993
Energy: 2.3141992434571597
Energy: 2.1812940017271996
Energy: 2.1891466732221105
Energy: 2.1812940017271996
Energy: 2.1891466732221105
Energy: 2.1812940017271996
Energy: 2.1891466732221105
Energy: 2.1812940017271996
Energy: 2.461907624070945
Energy: 2.189575778973473
Energy: 2.461907624070945
Energy: 2.1895757789796653
Energy: 2.461907624070945
Energy: 2.1895757789796653
Energy: 2.461907624070945
Energy: 2.1355327088452083
Energy: 2.313249990210917
Energy: 2.1355327088514007
Energy: 2.313249990210917
Energy: 2.1355327088452083
Energy: 2.313249990210917
Energy: 2.1355327088452083
Energy: 2.37112785139205
Energy: 2.287751263402584
Energy: 2.314278380096938
Energy: 2.287751263402584
Energy: 2.314278380096938
Energy: 2.287751263402584
Energy: 2.314278380096938
Energy: 2.155511244252657
Energy: 2.113596090967914
Energy: 2.155511244252657
Energy: 2.113596090967914
Energy: 2.155511244252657
Energy: 2.113596090967914
Energy: 2.155511244252657
Energy: 2.112166804691898
Energy: 2.1122831144812046
Energy: 2.112166804691898
Energy: 2.1122831144812046
Energy: 2.112166804691898
Energy: 2.1122831144812046
Energy: 2.112166804691898
Energy: 2.1364623843936976
Energy: 2.1157342959338625
Energy: 2.1364623843936976
Energy: 2.1157342959338625
Energy: 2.1364623843936976
Energy: 2.1157342959338625
Energy: 2.1364623843936976
Energy: 2.365974784489601
Energy: 2.2187630897055333
Energy: 2.365974784489601
Energy: 2.2187630897055333
Energy: 2.365974784489601
Energy: 2.2187630897055333
Energy: 2.365974784489601
Energy: 2.150069937912833
Energy: 2.149402795662705
Energy: 2.150069937912833
Energy: 2.149402795662705
Energy: 2.150069937912833
Energy: 2.149402795662705
Energy: 2.150069937912833
Energy: 2.1465986516462885
Energy: 2.183087639067839
Energy: 2.1465986516462885
Energy: 2.183087639067839
Energy: 2.1465986516462885
Energy: 2.183087639067839
Energy: 2.1465986516462885
Energy: 2.178593905637535
Energy: 2.1995918430824
Energy: 2.178593905637535
Energy: 2.1995918430824
Energy: 2.178593905637535
Energy: 2.1995918430824
Energy: 2.178593905637535
Energy: 2.1880521589418143
Energy: 2.1991575408846864
Energy: 2.1880521589418143
Energy: 2.1991575408846864
Energy: 2.1880521589418143
Energy: 2.1991575408846864
Energy: 2.1880521589418143
Energy: 2.1357432083796897
Energy: 2.296971160114336
Energy: 2.1357432083796897
Energy: 2.296971160114336
Energy: 2.1357432083796897
Energy: 2.296971160114336
Energy: 2.1357432083796897
Energy: 2.377832996665499
Energy: 2.1126089325809425
Energy: 2.377832996665499
Energy: 2.1126089325809425
Energy: 2.377832996665499
Energy: 2.1126089325809425
Energy: 2.377832996665499
Energy: 2.15057201887701
Energy: 2.113585990529152
Energy: 2.15057201887701
Energy: 2.113585990529152
Energy: 2.15057201887701
Energy: 2.113585990529152
Energy: 2.15057201887701
Energy: 2.185830067777985
Energy: 2.2010605931600624
Energy: 2.185830067777985
Energy: 2.2010605931600624
Energy: 2.185830067777985
Energy: 2.2010605931600624
Energy: 2.185830067777985
Energy: 2.3216693203472873
Energy: 2.111009520276527
Energy: 2.3216693203472873
Energy: 2.111009520276527
Energy: 2.3216693203472873
Energy: 2.111009520276527
Energy: 2.3216693203472873
Energy: 2.3372879561205795
Energy: 2.144824664986098
Energy: 2.3372879561205795
Energy: 2.144824664986098
Energy: 2.3372879561205795
Energy: 2.144824664986098
Energy: 2.3372879561205795
Energy: 2.327718435421437
Energy: 2.17925682256458
Energy: 2.327718435421437
Energy: 2.17925682256458
Energy: 2.327718435421437
Energy: 2.17925682256458
Energy: 2.327718435421437
Energy: 2.1781816628392354
Energy: 2.3332331610299066
Energy: 2.1781816628392354
Energy: 2.3332331610299066
Energy: 2.1781816628392354
Energy: 2.3332331610299066
Energy: 2.1781816628392354
Energy: 2.327274255823704
Energy: 2.1791492364210714
Energy: 2.327274255823704
Energy: 2.1791492364210714
Energy: 2.327274255823704
Energy: 2.1791492364210714
Energy: 2.327274255823704
Energy: 2.2490559454544905
Energy: 2.329905972080172
Energy: 2.2490559454544905
Energy: 2.329905972080172
Energy: 2.2490559454544905
Energy: 2.329905972080172
Energy: 2.2490559454544905
Energy: 2.3275655799619916
Energy: 2.112630822449874
Energy: 2.3275655799619916
Energy: 2.112630822449874
Energy: 2.3275655799619916
Energy: 2.112630822449874
Energy: 2.3275655799619916

minimum gb energy = 2.1088942656455725 eV
minimum distance =  2.49652326967974 Angstroms
sigma value = 21


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

Energy: 2.1809070315138306
Energy: 2.271449437205166
Energy: 2.1809070315138306
Energy: 2.271449437205166
Energy: 2.1809070315138306
Energy: 2.271449437205166
Energy: 2.1809070315138306
Energy: 2.2812465920163545
Energy: 2.096958218838177
Energy: 2.2812465920163545
Energy: 2.096958218838177
Energy: 2.2812465920163545
Energy: 2.096958218838177
Energy: 2.2812465920163545
Energy: 2.162309274265447
Energy: 2.503340429079644
Energy: 2.162309274265447
Energy: 2.503340429079644
Energy: 2.162309274265447
Energy: 2.503340429079644
Energy: 2.162309274265447
Energy: 2.244644171289247
Energy: 2.0963399732644104
Energy: 2.244644171289247
Energy: 2.0963399732644104
Energy: 2.244644171289247
Energy: 2.0963399732644104
Energy: 2.244644171289247
Energy: 2.030492752984219
Energy: 2.086613757140271
Energy: 2.030492752984219
Energy: 2.086613757140271
Energy: 2.030492752984219
Energy: 2.086613757140271
Energy: 2.030492752984219
Energy: 2.2433511724429516
Energy: 2.114589407602586
Energy: 2.2433511724429516
Energy: 2.114589407602586
Energy: 2.2433511724429516
Energy: 2.114589407602586
Energy: 2.2433511724429516
Energy: 2.03487785970117
Energy: 2.5575539979858575
Energy: 2.03487785970117
Energy: 2.5575539979858575
Energy: 2.03487785970117
Energy: 2.5575539979858575
Energy: 2.03487785970117
Energy: 2.05714847846054
Energy: 2.1416304789373948
Energy: 2.05714847846054
Energy: 2.1416304789373948
Energy: 2.05714847846054
Energy: 2.1416304789373948
Energy: 2.05714847846054
Energy: 2.19319638317005
Energy: 2.1554274074516653
Energy: 2.19319638317005
Energy: 2.1554274074516653
Energy: 2.19319638317005
Energy: 2.1554274074516653
Energy: 2.19319638317005
Energy: 2.1390280633318683
Energy: 2.3293882306387412
Energy: 2.1390280633318683
Energy: 2.3293882306387412
Energy: 2.1390280633318683
Energy: 2.3293882306387412
Energy: 2.1390280633318683
Energy: 2.034398117160606
Energy: 2.1468149325307477
Energy: 2.034398117160606
Energy: 2.1468149325307477
Energy: 2.034398117160606
Energy: 2.1468149325307477
Energy: 2.034398117160606
Energy: 2.0601769107088246
Energy: 2.1520849087119123
Energy: 2.0601769107088246
Energy: 2.1520849087119123
Energy: 2.0601769107088246
Energy: 2.1520849087119123
Energy: 2.0601769107088246
Energy: 2.1379363727345035
Energy: 2.1128147700969633
Energy: 2.1379363727345035
Energy: 2.1128147700969633
Energy: 2.1379363727345035
Energy: 2.1128147700969633
Energy: 2.1379363727345035
Energy: 2.095201368218716
Energy: 2.3817513532091645
Energy: 2.095201368218716
Energy: 2.3817513532091645
Energy: 2.095201368218716
Energy: 2.3817513532091645
Energy: 2.095201368218716
Energy: 2.1306167888915386
Energy: 2.145330190916936
Energy: 2.1306167888915386
Energy: 2.145330190916936
Energy: 2.1306167888915386
Energy: 2.145330190916936
Energy: 2.1306167888915386
Energy: 2.1895143329929416
Energy: 2.122907339559384
Energy: 2.1895143329929416
Energy: 2.122907339559384
Energy: 2.1895143329929416
Energy: 2.122907339559384
Energy: 2.1895143329929416
Energy: 2.1768304032706616
Energy: 2.143816999573493
Energy: 2.1768304032706616
Energy: 2.143816999573493
Energy: 2.1768304032706616
Energy: 2.143816999573493
Energy: 2.1768304032706616
Energy: 2.149750393481606
Energy: 2.37945583835802
Energy: 2.149750393481606
Energy: 2.37945583835802
Energy: 2.149750393481606
Energy: 2.37945583835802
Energy: 2.149750393481606
Energy: 2.1394446516381422
Energy: 2.1470809753740268
Energy: 2.1394446516381422
Energy: 2.1470809753740268
Energy: 2.1394446516381422
Energy: 2.1470809753740268
Energy: 2.1394446516381422
Energy: 2.0603707002876748
Energy: 2.086809895944754
Energy: 2.0603707002876748
Energy: 2.086809895944754
Energy: 2.0603707002876748
Energy: 2.086809895944754
Energy: 2.0603707002876748
Energy: 2.1382444797872715
Energy: 2.2278045524322074
Energy: 2.1382444797872715
Energy: 2.2278045524322074
Energy: 2.1382444797872715
Energy: 2.2278045524322074
Energy: 2.1382444797872715
Energy: 2.0372683331330914
Energy: 2.334218471049365
Energy: 2.0372683331330914
Energy: 2.334218471049365
Energy: 2.0372683331330914
Energy: 2.334218471049365
Energy: 2.0372683331330914
Energy: 2.139915156113701
Energy: 2.1445337265296045
Energy: 2.139915156113701
Energy: 2.1445337265296045
Energy: 2.139915156113701
Energy: 2.1445337265296045
Energy: 2.139915156113701
Energy: 2.140975534865812
Energy: 2.0874820371749827
Energy: 2.140975534865812
Energy: 2.0874820371749827
Energy: 2.140975534865812
Energy: 2.0874820371749827
Energy: 2.140975534865812
Energy: 2.137025180914382
Energy: 2.2252202185253993
Energy: 2.137025180914382
Energy: 2.2252202185253993
Energy: 2.137025180914382
Energy: 2.2252202185253993
Energy: 2.137025180914382

minimum gb energy = 2.030492752984219 eV
minimum distance =  2.53715336034315 Angstroms
sigma value = 113


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

Energy: 1.9405331226762965
Energy: 2.1247727340202336
Energy: 1.9405331226762965
Energy: 2.1247727340202336
Energy: 1.9405331226762965
Energy: 2.1247727340202336
Energy: 1.9405331226762965
Energy: 1.9857990293635275
Energy: 1.9423438836133065
Energy: 1.9857990293635275
Energy: 1.9423438836133065
Energy: 1.9857990293635275
Energy: 1.9423438836133065
Energy: 1.9857990293635275
Energy: 1.9455789733390796
Energy: 1.9219961542637751
Energy: 1.9455789733390796
Energy: 1.9219961542637751
Energy: 1.9455789733390796
Energy: 1.9219961542637751
Energy: 1.9455789733390796
Energy: 2.0321447170814375
Energy: 1.9258574288227723
Energy: 2.0321447170814375
Energy: 1.9258574288227723
Energy: 2.0321447170814375
Energy: 1.9258574288227723
Energy: 2.0321447170814375
Energy: 1.896391295097094
Energy: 2.092866375671107
Energy: 1.896391295097094
Energy: 2.092866375671107
Energy: 1.896391295097094
Energy: 2.092866375671107
Energy: 1.896391295097094
Energy: 1.93666713617198
Energy: 1.9067843323252227
Energy: 1.93666713617198
Energy: 1.9067843323252227
Energy: 1.93666713617198
Energy: 1.9067843323252227
Energy: 1.93666713617198
Energy: 1.8640704477992023
Energy: 1.8919184323613205
Energy: 1.8640704477992023
Energy: 1.8919184323571254
Energy: 1.8640704477992023
Energy: 1.8919184323613205
Energy: 1.8640704477992023
Energy: 1.9254831033766056
Energy: 1.894296637899596
Energy: 1.9254831033766056
Energy: 1.894296637899596
Energy: 1.9254831033766056
Energy: 1.894296637899596
Energy: 1.9254831033766056
Energy: 1.9006943600610047
Energy: 2.0140548573480963
Energy: 1.9006943600610047
Energy: 2.0140548573480963
Energy: 1.9006943600610047
Energy: 2.0140548573480963
Energy: 1.9006943600610047
Energy: 1.9142037367800018
Energy: 1.863591540989878
Energy: 1.9142037367800018
Energy: 1.863591540989878
Energy: 1.9142037367800018
Energy: 1.863591540989878
Energy: 1.9142037367800018
Energy: 1.8302273691853699
Energy: 1.8332297487900775
Energy: 1.8302273691853699
Energy: 1.8332297487900775
Energy: 1.8302273691853699
Energy: 1.8332297487900775
Energy: 1.8302273691853699
Energy: 1.8900991910030855
Energy: 1.895453147073168
Energy: 1.8900991910030855
Energy: 1.895453147073168
Energy: 1.8900991910030855
Energy: 1.895453147073168
Energy: 1.8900991910030855
Energy: 1.8782649529405977
Energy: 2.025289026686808
Energy: 1.8782649529405977
Energy: 2.025289026686808
Energy: 1.8782649529364022
Energy: 2.025289026686808
Energy: 1.8782649529405977
Energy: 1.8552798609526737
Energy: 1.8341087975359123
Energy: 1.8552798609526737
Energy: 1.8341087975359123
Energy: 1.8552798609526737
Energy: 1.8341087975359123
Energy: 1.8552798609526737
Energy: 1.862982555638767
Energy: 1.8450676221827147
Energy: 1.862982555638767
Energy: 1.8450676221827147
Energy: 1.862982555638767
Energy: 1.8450676221827147
Energy: 1.862982555638767
Energy: 1.8640685929852887
Energy: 1.9960142693692982
Energy: 1.8640685929852887
Energy: 1.9960142693692982
Energy: 1.8640685929852887
Energy: 1.9960142693692982
Energy: 1.8640685929852887
Energy: 1.7844244271124574
Energy: 1.8703267489596789
Energy: 1.7844244271124574
Energy: 1.8703267489596789
Energy: 1.7844244271124574
Energy: 1.8703267489596789
Energy: 1.7844244271124574
Energy: 1.8205077910405418
Energy: 1.8518866299744525
Energy: 1.8205077910405418
Energy: 1.8518866299744525
Energy: 1.8205077910405418
Energy: 1.8518866299744525
Energy: 1.8205077910405418
Energy: 1.894441934112186
Energy: 1.8198646763783335
Energy: 1.894441934112186
Energy: 1.8198646763783335
Energy: 1.894441934112186
Energy: 1.8198646763783335
Energy: 1.894441934112186
Energy: 1.8593224560767527
Energy: 1.9445341720211315
Energy: 1.8593224560767527
Energy: 1.9445341720211315
Energy: 1.8593224560767527
Energy: 1.9445341720211315
Energy: 1.8593224560767527
Energy: 1.9214464731700258
Energy: 1.8236077266023822
Energy: 1.9214464731700258
Energy: 1.8236077266023822
Energy: 1.9214464731700258
Energy: 1.8236077266023822
Energy: 1.9214464731700258
Energy: 1.834585066574464
Energy: 1.8270966675101088
Energy: 1.834585066574464
Energy: 1.8270966675101088
Energy: 1.834585066574464
Energy: 1.8270966675101088
Energy: 1.834585066574464
Energy: 1.863171252085435
Energy: 1.956068880827127
Energy: 1.863171252085435
Energy: 1.956068880827127
Energy: 1.863171252085435
Energy: 1.956068880827127
Energy: 1.8631712520896304
Energy: 1.8110094042992901
Energy: 1.9710514296744437
Energy: 1.8110094042992901
Energy: 1.9710514296744437
Energy: 1.8110094042992901
Energy: 1.9710514296744437
Energy: 1.8110094042992901
Energy: 1.8927942220276703
Energy: 1.9610068342697218
Energy: 1.8927942220276703
Energy: 1.9610068342697218
Energy: 1.8927942220276703
Energy: 1.9610068342697218
Energy: 1.8927942220318659
Energy: 1.906818852404123
Energy: 1.8258075990436815
Energy: 1.906818852404123
Energy: 1.8258075990436815
Energy: 1.906818852404123
Energy: 1.8258075990436815
Energy: 1.906818852404123
Energy: 1.9597644877462708
Energy: 1.957392210264968
Energy: 1.9597644877462708
Energy: 1.957392210264968
Energy: 1.9597644877462708
Energy: 1.957392210264968
Energy: 1.9597644877420755
Energy: 1.8738666619088897
Energy: 1.9819271136745429
Energy: 1.8738666619088897
Energy: 1.9819271136745429
Energy: 1.8738666619088897
Energy: 1.9819271136703478
Energy: 1.8738666619088897
Energy: 1.967427985102449
Energy: 1.9633602818990354
Energy: 1.967427985102449
Energy: 1.9633602818990354
Energy: 1.967427985102449
Energy: 1.9633602818990354
Energy: 1.967427985102449
Energy: 1.886036044567862
Energy: 1.8654233171983587
Energy: 1.886036044567862
Energy: 1.8654233171983587
Energy: 1.886036044567862
Energy: 1.8654233171983587
Energy: 1.886036044567862
Energy: 1.9521908938060213
Energy: 2.0014534368718615
Energy: 1.9521908938060213
Energy: 2.0014534368718615
Energy: 1.9521908938060213
Energy: 2.0014534368718615
Energy: 1.9521908938060213
Energy: 1.8433283895733454
Energy: 2.0347484736037145
Energy: 1.8433283895733454
Energy: 2.0347484736037145
Energy: 1.8433283895733454
Energy: 2.0347484736037145
Energy: 1.8433283895733454
Energy: 1.9201289772557313
Energy: 1.9005520540018923
Energy: 1.9201289772557313
Energy: 1.9005520540018923
Energy: 1.9201289772557313
Energy: 1.9005520540018923
Energy: 1.9201289772557313
Energy: 1.8715210362034131
Energy: 1.847927982808473
Energy: 1.8715210362034131
Energy: 1.847927982808473
Energy: 1.8715210362034131
Energy: 1.847927982808473
Energy: 1.8715210362034131
Energy: 1.9276242794816052
Energy: 2.0529990141175207
Energy: 1.9276242794816052
Energy: 2.0529990141175207
Energy: 1.9276242794816052
Energy: 2.0529990141175207
Energy: 1.9276242794816052
Energy: 1.858166394598417
Energy: 1.9763362895579255
Energy: 1.858166394598417
Energy: 1.9763362895579255
Energy: 1.858166394598417
Energy: 1.9763362895579255
Energy: 1.858166394598417
Energy: 1.9937820421063261
Energy: 1.855794281078356
Energy: 1.9937820421063261
Energy: 1.8557942810825514
Energy: 1.9937820421063261
Energy: 1.8557942810825514
Energy: 1.9937820421063261
Energy: 1.8299729271076317
Energy: 1.8510563467453793
Energy: 1.8299729271076317
Energy: 1.8510563467453793
Energy: 1.8299729271076317
Energy: 1.8510563467453793
Energy: 1.8299729271076317
Energy: 1.880047396619595
Energy: 1.844158580108783
Energy: 1.880047396619595
Energy: 1.844158580108783
Energy: 1.880047396619595
Energy: 1.844158580108783
Energy: 1.880047396619595
Energy: 1.8486223952370384
Energy: 1.994436771264537
Energy: 1.8486223952370384
Energy: 1.994436771264537
Energy: 1.8486223952370384
Energy: 1.994436771264537
Energy: 1.8486223952370384
Energy: 1.812522166081707
Energy: 1.8245404565107262
Energy: 1.812522166081707
Energy: 1.8245404565107262
Energy: 1.812522166081707
Energy: 1.8245404565107262
Energy: 1.812522166081707
Energy: 1.8781995840784258
Energy: 1.8356597216729587
Energy: 1.8781995840784258
Energy: 1.8356597216729587
Energy: 1.8781995840784258
Energy: 1.8356597216729587
Energy: 1.8781995840784258
Energy: 1.8577378621800977
Energy: 2.009924584371183
Energy: 1.8577378621800977
Energy: 2.009924584371183
Energy: 1.8577378621800977
Energy: 2.009924584371183
Energy: 1.8577378621800977
Energy: 1.8068473789251647
Energy: 1.8392172984951982
Energy: 1.8068473789251647
Energy: 1.8392172984951982
Energy: 1.8068473789251647
Energy: 1.8392172984951982
Energy: 1.8068473789251647
Energy: 1.8121356509854987
Energy: 1.8662507562182273
Energy: 1.8121356509854987
Energy: 1.8662507562182273
Energy: 1.8121356509854987
Energy: 1.8662507562182273
Energy: 1.8121356509854987

minimum gb energy = 1.7844244271124574 eV
minimum distance =  2.52403506875255 Angstroms
sigma value = 365


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

Energy: 0.8450960146098652
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 3.692019856733805
Energy: 2.1136151680015782
Energy: 3.507912255949275
Energy: 2.1136151680015782
Energy: 3.507912255951166
Energy: 2.1136151680015782
Energy: 3.507912256070283
Energy: 0.8450960146098652
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146098652
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 4.245800068089387
Energy: 2.113615168002524
Energy: 3.6920198566846403
Energy: 2.113615168002524
Energy: 3.5079122559473834
Energy: 2.113615168002524
Energy: 3.507912255945491
Energy: 0.8450960146098652
Energy: 0.8282369194393341
Energy: 0.8450960146098652
Energy: 0.8282369194402799
Energy: 0.8450960146089193
Energy: 0.8282369194402799
Energy: 0.8450960146098652
Energy: 3.507912255948329
Energy: 2.113615168002524
Energy: 3.507912255985197
Energy: 2.113615168002524
Energy: 3.5079122559587335
Energy: 2.113615168002524
Energy: 3.507912255956842
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 3.5079122559473834
Energy: 2.1136151680015782
Energy: 3.5079122559473834
Energy: 2.1136151680015782
Energy: 3.5079122559502207
Energy: 2.1136151680015782
Energy: 3.5079122559435993
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 3.6920198566723657
Energy: 2.1136151680015782
Energy: 3.692019856676149
Energy: 2.1136151680015782
Energy: 3.5079122559473834
Energy: 2.1136151680015782
Energy: 3.5079122559435993
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 3.507912255985197
Energy: 2.1136151680015782
Energy: 3.5079122559445453
Energy: 2.1136151680015782
Energy: 3.507912255955896
Energy: 2.1136151680015782
Energy: 3.507912255946437
Energy: 0.8450960146098652
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146098652
Energy: 0.8282369194393341
Energy: 0.8450960146098652
Energy: 3.507912255949275
Energy: 2.1136151680015782
Energy: 3.5079122559473834
Energy: 2.1136151680015782
Energy: 3.507912255953058
Energy: 2.1136151680015782
Energy: 3.5079122559445453
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 3.5079122559502207
Energy: 2.1136151680015782
Energy: 3.507912255945491
Energy: 2.1136151680015782
Energy: 3.507912255954004
Energy: 2.1136151680015782
Energy: 3.507912255954004
Energy: 0.8450960146098652
Energy: 0.8282369194393341
Energy: 0.8450960146098652
Energy: 0.8282369194393341
Energy: 0.8450960146098652
Energy: 0.8282369194393341
Energy: 0.8450960146098652
Energy: 3.507912255953058
Energy: 2.1136151680015782
Energy: 3.5079122559435993
Energy: 2.1136151680015782
Energy: 3.507912255954004
Energy: 2.1136151680015782
Energy: 3.5079122559624953
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 0.8282369194393341
Energy: 0.8450960146089193
Energy: 3.5079122559473834
Energy: 2.1136151680015782
Energy: 3.50791225595495
Energy: 2.1136151680015782
Energy: 3.5079122559473834
Energy: 2.1136151680015782
Energy: 3.507912255985197

minimum gb energy = 0.8282369194393341 eV
minimum distance =  2.38060334991937 Angstroms
sigma value = 23