Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ag__MO_861893969202_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.075408697128296
cohesive_energy=2.975284478183433
mass=107.8682
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.1792436592164838e-19, 1.7070711382279797e-19, 2.1251110655712598e-19, 2.4773656203224998e-19, 2.78040130887726e-19, 3.0450648670477197e-19, 3.27887050324734e-19, 3.48611205085524e-19, 3.67033032023256e-19, 3.83421696812442e-19, 3.98102441309784e-19, 4.1124189188521797e-19, 4.2288330730786196e-19, 4.3314524864863196e-19, 4.42127050858836e-19, 4.49913629300076e-19, 4.56589899333954e-19, 4.622183458491959e-19, 4.66847034144822e-19, 4.70528836049754e-19, 4.733086125097439e-19, 4.75228020117276e-19, 4.76322306758298e-19, 4.7665555949817e-19, 4.762405957499639e-19, 4.748915630241359e-19, 4.724290175376779e-19, 4.68639869798268e-19, 4.63264567191198e-19, 4.55990685272838e-19, 4.464849713033159e-19, 4.342635679391639e-19, 4.1873366982580196e-19, 3.9918391053773397e-19, 3.74728286396358e-19, 3.44341404355914e-19, 3.06533240146782e-19, 2.59490129819274e-19, 2.0092416514003798e-19, 1.277699015552418e-19, 3.5900933144018397e-20, -7.97858328905856e-20, -2.2704124645087195e-19, -4.1634802881777596e-19, -6.62503242512268e-19, -9.86958430486974e-19, -1.4224188243717359e-18, -2.0190629941668e-18, -2.8582510715233197e-18, -4.07763566412804e-18, -5.926050825007499e-18, -8.88797874651696e-18, -1.400973690125646e-17, -2.3913287350766998e-17]
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: 0.0 eV

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

Energy: 0.011057309261329541
Energy: 0.011514238211893636
Energy: 0.38413909231210935
Energy: 1.0188885751501666
Energy: 1.0135089762639473
Energy: 0.34531855005742984
Energy: 0.011551669006894387
Energy: 0.011369543852303004
Energy: 0.759071428646364
Energy: 0.07802646458738932
Energy: 0.20177916735765522
Energy: 0.7517017822383149
Energy: 0.013032700336698491
Energy: 0.08064598464982596
Energy: 0.011415823901124068
Energy: 0.7560686617448391
Energy: 0.2023543321151591
Energy: 0.20184907606420197
Energy: 0.751591643298571
Energy: 0.07872819753526697
Energy: 0.08032713083119936
Energy: 0.013486340021298109
Energy: 0.7533355646063328
Energy: 0.384773962467941
Energy: 0.7607254491983845
Energy: 0.7620937339537542
Energy: 0.0791837918916732
Energy: 0.012387769681772425
Energy: 0.07929155308429
Energy: 0.7582994035582834
Energy: 0.07816305511633058
Energy: 0.3835040068084344
Energy: 0.752745138622312
Energy: 0.012371603494061276
Energy: 0.08093517703890364
Energy: 0.01132368766015811
Energy: 0.7555232653906997
Energy: 0.20196872216931008
Energy: 0.2018685132863287
Energy: 0.7514081740128015
Energy: 0.07854088712406755
Energy: 0.08026641559431874

minimum gb energy = 0.011057309261329541 eV
minimum distance =  2.85453702112025 Angstroms
sigma value = 5


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

Energy: 1.2174987427138602
Energy: 1.2209289015054572
Energy: 1.3976959777623892
Energy: 1.2652401452095923
Energy: 1.247115945721963
Energy: 1.2852960697258557
Energy: 1.2096576972923767
Energy: 1.1817117450601098
Energy: 1.2281240524454222
Energy: 1.2128945022329474
Energy: 1.3289713449985139
Energy: 1.2957902032844282
Energy: 1.2034529488946957
Energy: 1.219945253112445
Energy: 1.196500284081626
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Energy: 1.2076624599609986
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Energy: 1.2212748806086091
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Energy: 1.2602812635001293
Energy: 1.2570960677763792
Energy: 1.3013593597264501
Energy: 1.2296553576570737
Energy: 1.2874628129293706
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Energy: 1.274176908448501
Energy: 1.2857316048496943
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Energy: 1.2430847035668722
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Energy: 1.2285727255676209
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Energy: 1.2551876757251548
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Energy: 1.2144430163651105
Energy: 1.1846638625076933
Energy: 1.2619701920767834
Energy: 1.2708450157402102
Energy: 1.2071734737205582
Energy: 1.23058376331687
Energy: 1.260973927854832
Energy: 1.203986463173429
Energy: 1.2999288017735924
Energy: 1.288472955192266
Energy: 1.284096145618644
Energy: 1.2398207199607194
Energy: 1.2315805187432523
Energy: 1.2110083612551268
Energy: 1.2742642185811368
Energy: 1.1818439591265393
Energy: 1.303272956471954
Energy: 1.2969566344523238
Energy: 1.1975931552305321
Energy: 1.2177669934183117
Energy: 1.1799598942936254
Energy: 1.2859161799321723
Energy: 1.2445017237905664
Energy: 1.301506782045156
Energy: 1.261627566527912
Energy: 1.1963232467624159
Energy: 1.271736747987623
Energy: 1.2274962056762908
Energy: 1.1825196833214011
Energy: 1.2097725103327808
Energy: 1.2872595567058138
Energy: 1.2360453484805447
Energy: 1.1820480164164788
Energy: 1.234855622850211
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Energy: 1.3333859082261645
Energy: 1.2276707483648641
Energy: 1.3271304976544127
Energy: 1.2871583188128415
Energy: 1.2331522450943786

minimum gb energy = 1.1799598942936254 eV
minimum distance =  2.57243983071169 Angstroms
sigma value = 401


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

Energy: 1.3852609428874378
Energy: 1.2105235449722191
Energy: 1.2965434069897492
Energy: 1.2496469879686185
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Energy: 1.2498403724882077
Energy: 1.232091073971137
Energy: 1.2112231948165568
Energy: 1.1850215554589265
Energy: 1.2425624392325199
Energy: 1.295154970822077
Energy: 1.2969619638669747
Energy: 1.278068016786733
Energy: 1.237450072725948
Energy: 1.200040672599948
Energy: 1.1872483771772082
Energy: 1.3142293188083973
Energy: 1.281910519187612
Energy: 1.2175849273478938
Energy: 1.2650477694145004
Energy: 1.320876137349661
Energy: 1.2624199831381209
Energy: 1.212878328228097
Energy: 1.362043084822397
Energy: 1.2684519148085245
Energy: 1.2443720639497717
Energy: 1.259057816573067
Energy: 1.2364779199099283
Energy: 1.2456476983369196
Energy: 1.241224112509238
Energy: 1.2194874127760809
Energy: 1.238699963529672
Energy: 1.2122268250686024
Energy: 1.2263320469843726
Energy: 1.2906442261211617
Energy: 1.2621921466432457
Energy: 1.2220866211118762
Energy: 1.2566178304195603
Energy: 1.2161988109754378
Energy: 1.2119260985690217
Energy: 1.2536530030644855
Energy: 1.289517256706621
Energy: 1.2489862675290673
Energy: 1.2443803973679635
Energy: 1.2486325022757427
Energy: 1.2165561241403235
Energy: 1.2340015910038384
Energy: 1.23739122285813
Energy: 1.2713018396308209
Energy: 1.2357120565024888
Energy: 1.291587677574408
Energy: 1.3128618466195001
Energy: 1.246346884110288
Energy: 1.2908008462771732
Energy: 1.2650738574219265
Energy: 1.2137484817856403
Energy: 1.2409200345061373
Energy: 1.2223098843369387
Energy: 1.2310228480344483
Energy: 1.308254586628395
Energy: 1.2366036242210006
Energy: 1.2665834715529134
Energy: 1.2298333199518114
Energy: 1.241946831283809
Energy: 1.2098398425755816
Energy: 1.2601237471634483
Energy: 1.3133991093811657
Energy: 1.2977282118321831
Energy: 1.2269261234611408
Energy: 1.2425306382368104
Energy: 1.2513312194255066
Energy: 1.1902918580255855
Energy: 1.2587837517222744
Energy: 1.295927065283969
Energy: 1.2356873206302554
Energy: 1.3291600442691047
Energy: 1.2274401767079004
Energy: 1.2437873696977837
Energy: 1.1875089972679513
Energy: 1.2383272310776101
Energy: 1.3139434707068787
Energy: 1.2544343653045615
Energy: 1.305120561917195
Energy: 1.212710665073467
Energy: 1.244709388964442
Energy: 1.190646988533121
Energy: 1.2699453402598138
Energy: 1.3167495970390164
Energy: 1.251876150805185
Energy: 1.2591814276131905
Energy: 1.3058934884511386
Energy: 1.3974612231306838
Energy: 1.2308463302405364
Energy: 1.3475024632348267
Energy: 1.2375442639728185
Energy: 1.235233350523576
Energy: 1.2329725581037423
Energy: 1.2376674475112905
Energy: 1.243988282869524
Energy: 1.2616025209080566
Energy: 1.2337092904686895
Energy: 1.2354901730279984
Energy: 1.220527368208799
Energy: 1.2284582352472897
Energy: 1.2453872566704207
Energy: 1.3094772327138327
Energy: 1.2643149821704855
Energy: 1.2747732475764009
Energy: 1.223744503268703

minimum gb energy = 1.1804118653457163 eV
minimum distance =  2.58961438465687 Angstroms
sigma value = 311


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

Energy: 1.2953867348886405
Energy: 1.2689044095979736
Energy: 1.3273141552022945
Energy: 1.2630052763006014
Energy: 1.3592553343601752
Energy: 1.3017443811731468
Energy: 1.3052864649343507
Energy: 1.2696647618166024
Energy: 1.2391476025315882
Energy: 1.258843150906169
Energy: 1.2763263294005818
Energy: 1.3026432475749385
Energy: 1.3243484047628087
Energy: 1.2668270309505978
Energy: 1.2820196505766657
Energy: 1.2899846587965729
Energy: 1.2450920664486096
Energy: 1.301176557284645
Energy: 1.245677893209926
Energy: 1.2676381106044978
Energy: 1.2707746547456407
Energy: 1.273960804825347
Energy: 1.2964301723012315
Energy: 1.2911331754510953
Energy: 1.380743796330671
Energy: 1.2936870933306566
Energy: 1.2617281833760086
Energy: 1.3119166997787528
Energy: 1.272293238239412
Energy: 1.307385402544794
Energy: 1.27734624977646
Energy: 1.2583939819776868
Energy: 1.2696723486865962
Energy: 1.2685727698788958
Energy: 1.2946307728031161
Energy: 1.2455468797616092
Energy: 1.2537414137277672
Energy: 1.255228959000285
Energy: 1.2330000330084034
Energy: 1.2609262448282452
Energy: 1.241019100320435
Energy: 1.3045400293737348
Energy: 1.2608404064204781
Energy: 1.2913214356185838
Energy: 1.2572468148318399
Energy: 1.273812685351874
Energy: 1.3020813272169174
Energy: 1.2912558247896422
Energy: 1.2973124632210682
Energy: 1.2709644701694507
Energy: 1.236786980258307
Energy: 1.2610191693211297
Energy: 1.2530276654968673
Energy: 1.2834905375983117
Energy: 1.2569205075827992
Energy: 1.3099529995735073
Energy: 1.3026268740222802
Energy: 1.2773715423340994
Energy: 1.2536883016505704
Energy: 1.269362622853307
Energy: 1.246821523178136
Energy: 1.285965685569297
Energy: 1.296893856564952
Energy: 1.2604440922238622
Energy: 1.2888208442610332
Energy: 1.2948444758459192
Energy: 1.2976448511734036
Energy: 1.30265233635325
Energy: 1.268499304441973
Energy: 1.2811175779517447
Energy: 1.2441923250699067
Energy: 1.2420668569009141
Energy: 1.2518541073683773
Energy: 1.2509676754415988
Energy: 1.2631717668149527
Energy: 1.2643677443192738
Energy: 1.264037922125919
Energy: 1.266532375360892
Energy: 1.2764097592656576
Energy: 1.2437911519395592
Energy: 1.2369780595273792
Energy: 1.2650380840945055
Energy: 1.253053096773506
Energy: 1.2469170914340895
Energy: 1.2964838033761064
Energy: 1.365030286599765
Energy: 1.2599926839145432
Energy: 1.2726477223489199
Energy: 1.268082521172465
Energy: 1.2741688331407308
Energy: 1.3122487926488782
Energy: 1.2646123361411878
Energy: 1.3077744902538342
Energy: 1.2543723834969482
Energy: 1.292048982775381
Energy: 1.3667685402827079
Energy: 1.250119471444763
Energy: 1.3335234062585013
Energy: 1.2387563956652128
Energy: 1.2586688340616623
Energy: 1.2944042756230152
Energy: 1.285463944181073
Energy: 1.2600312715721398
Energy: 1.2667565803093368
Energy: 1.2765720312746225
Energy: 1.2665857093429946
Energy: 1.3242940857664192
Energy: 1.2533867299559955
Energy: 1.2735666430339314
Energy: 1.2883421882686095
Energy: 1.2754144630815123
Energy: 1.2719817364732964
Energy: 1.2747926794243518
Energy: 1.2676879241119587
Energy: 1.248533722378169
Energy: 1.255277064583066
Energy: 1.2532131781702056
Energy: 1.209062521372123
Energy: 1.2530958689859837
Energy: 1.2419086716302317
Energy: 1.2697922926634577
Energy: 1.236018738561124
Energy: 1.2617609548137205
Energy: 1.2605311261707497
Energy: 1.2265358483141477
Energy: 1.2541275735432686
Energy: 1.3862937371563868
Energy: 1.2754030668659686
Energy: 1.2439123796155882
Energy: 1.3369214532603375
Energy: 1.2651585170048243
Energy: 1.274887474640266
Energy: 1.2883948504975415
Energy: 1.2777479127005271
Energy: 1.3003268056438677
Energy: 1.247948632532984
Energy: 1.293151745332676
Energy: 1.2631878954964744
Energy: 1.2442805373603236
Energy: 1.316466647279059
Energy: 1.3120353693705111
Energy: 1.2808960692079268
Energy: 1.270717509886716
Energy: 1.2955119960671895
Energy: 1.2672679377374114
Energy: 1.255463585080589
Energy: 1.2825235711375214
Energy: 1.2715921231821905
Energy: 1.2771051011462362
Energy: 1.3101949761904939
Energy: 1.2566158153508336
Energy: 1.2915307437821226
Energy: 1.2832820802489264
Energy: 1.246755548436443
Energy: 1.2559694052590242
Energy: 1.2574372623882455
Energy: 1.2739240224488089
Energy: 1.2951661523723854
Energy: 1.264833286579144
Energy: 1.2745659258060829
Energy: 1.3033685548773295
Energy: 1.3615715734405482
Energy: 1.277001341039824
Energy: 1.2424229268768994
Energy: 1.2319053681636756
Energy: 1.2653467828623992
Energy: 1.2476926242916921
Energy: 1.2598771734778216
Energy: 1.247660069428981
Energy: 1.2993647770394312
Energy: 1.3115341329820276
Energy: 1.2721029027893576
Energy: 1.2677631091450907
Energy: 1.2744862425838257
Energy: 1.2741494202807562
Energy: 1.276497609585562
Energy: 1.2664941831735417
Energy: 1.2774000659133042
Energy: 1.3199821297064813
Energy: 1.3629293812540353
Energy: 1.3240265922323082
Energy: 1.3671854360231648
Energy: 1.306612590818727
Energy: 1.2724148844728196
Energy: 1.2571141063256088
Energy: 1.2879192076064092
Energy: 1.2540740489251507
Energy: 1.2625649009342281
Energy: 1.2799984829132562
Energy: 1.2827970365293326
Energy: 1.2452566043296274
Energy: 1.2547151894959023
Energy: 1.2479304560385511
Energy: 1.2615256817589235
Energy: 1.2635002974815832
Energy: 1.3024054346089404
Energy: 1.267040602972239
Energy: 1.2738856584146927
Energy: 1.2730563656738152
Energy: 1.2597492674991058
Energy: 1.2509576232161894
Energy: 1.273111966708682
Energy: 1.3032065370210029
Energy: 1.2597313297464516
Energy: 1.2786920938186417
Energy: 1.3179028873688543
Energy: 1.2318459526703796
Energy: 1.2686431031533123
Energy: 1.2808173335214115
Energy: 1.2901413345631463
Energy: 1.2917435787035847
Energy: 1.29842633502965
Energy: 1.2537562169727516
Energy: 1.2730472452624455
Energy: 1.2655959860646204
Energy: 1.2674116388535799
Energy: 1.3073450038525052
Energy: 1.287749679026994
Energy: 1.2713520027277716
Energy: 1.2774194513996626
Energy: 1.289234499270694
Energy: 1.3661276518085945
Energy: 1.2658307155001671
Energy: 1.3535672526163811
Energy: 1.3043875861716385
Energy: 1.2576375047947492
Energy: 1.2469914337827064
Energy: 1.32134309930067
Energy: 1.2447403196929225
Energy: 1.3001903679906701
Energy: 1.3212783490929154
Energy: 1.2727817356314912
Energy: 1.2811855040846774
Energy: 1.2623930579972575
Energy: 1.2514981348806553
Energy: 1.2427272986264204
Energy: 1.2695714536255136
Energy: 1.2857996564608356
Energy: 1.2742865124871179
Energy: 1.2910052565424965
Energy: 1.2434600303826742
Energy: 1.25287402601619
Energy: 1.279558835467019
Energy: 1.288830577538467
Energy: 1.2503351385581676
Energy: 1.2867134643560674
Energy: 1.2882356428026522
Energy: 1.2818760997476315
Energy: 1.28465916172179
Energy: 1.2582223436797446
Energy: 1.3009109344675704
Energy: 1.3259680970717518

minimum gb energy = 1.209062521372123 eV
minimum distance =  2.57817570540096 Angstroms
sigma value = 39


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

Energy: 1.185744095215048
Energy: 1.1688044245211546
Energy: 1.6812551333764278
Energy: 1.4541619789724889
Energy: 1.24167722824826
Energy: 1.315411389067907
Energy: 1.1688994047855763
Energy: 1.1677707478394206
Energy: 1.2707982272593017
Energy: 1.2023467428864607
Energy: 1.2528938951295086
Energy: 1.2542374054911256
Energy: 1.2419360339433794
Energy: 1.2433865509638653
Energy: 1.2418059771763676
Energy: 1.1540981599681188
Energy: 1.2010765390971643
Energy: 1.3398534233682349
Energy: 1.2609838799572817
Energy: 1.2405920552804939
Energy: 1.2401667839901198
Energy: 1.2430388633338663
Energy: 1.1518748405208499
Energy: 1.3152039291957782
Energy: 1.1500964575603052
Energy: 1.3202065895714634
Energy: 1.205394327341441
Energy: 1.2990850500293585
Energy: 1.2729600928384521
Energy: 1.2545655553220338
Energy: 1.3397194944087976
Energy: 1.203129223337708
Energy: 1.250643020391113
Energy: 1.2137521954870587
Energy: 1.2408045599542956
Energy: 1.1678370807480745
Energy: 1.2530372113976036
Energy: 1.2019825674572555
Energy: 1.218380954270646
Energy: 1.270926179794453
Energy: 1.2400353983681114
Energy: 1.2708856008829001
Energy: 1.242806818840626
Energy: 1.2337650128147748
Energy: 1.2013185947529508
Energy: 1.2633437254920998
Energy: 1.169294242069875
Energy: 1.1691541751904357
Energy: 1.2431112336577288
Energy: 1.1685592334404387
Energy: 1.272191536209964
Energy: 1.2738971054447399
Energy: 1.2192230773763473
Energy: 1.3288670949071677
Energy: 1.2024187741571013
Energy: 1.2706313878663826
Energy: 1.1682463467360462
Energy: 1.27109580330243
Energy: 1.3300253050393624
Energy: 1.2184009992244238
Energy: 1.2524626199740394
Energy: 1.201057933677257
Energy: 1.2706551824391952
Energy: 1.2430229761434586
Energy: 1.2325289239123691
Energy: 1.20526797759564
Energy: 1.3204926876975398
Energy: 1.2608934384770123
Energy: 1.2401380773785387
Energy: 1.2399273923588288
Energy: 1.242533038461008
Energy: 1.2208424943706917
Energy: 1.206909409633922
Energy: 1.2209226925633492
Energy: 1.2713753669966812
Energy: 1.244372077113175
Energy: 1.2990161326415648
Energy: 1.2719560569144048
Energy: 1.2532576614760478
Energy: 1.2190074061638125
Energy: 1.1509163532485913
Energy: 1.2720238341515555
Energy: 1.215306281680079
Energy: 1.244253653076018
Energy: 1.1698241672618077
Energy: 1.1820600264418764
Energy: 1.332228758789559
Energy: 1.2045249636738922
Energy: 1.3282228431314034
Energy: 1.2056048048727308
Energy: 1.240426707190173
Energy: 1.2420433318278339
Energy: 1.1515995631578306
Energy: 1.2012262612224025
Energy: 1.2921422398084865
Energy: 1.1685229515444673
Energy: 1.1690931577277606
Energy: 1.2432462919296208
Energy: 1.1676863577442549
Energy: 1.2332668893578926
Energy: 1.2007216943251326
Energy: 1.3313035312791264
Energy: 1.168600455477777
Energy: 1.1684783457084555
Energy: 1.2437523745387862
Energy: 1.168639176248979
Energy: 1.312211732530226
Energy: 1.3277216679742514
Energy: 1.2022280432947254
Energy: 1.2502631183079185
Energy: 1.3154939374060826
Energy: 1.1686556672896318
Energy: 1.2451008975162905
Energy: 1.2709072386222864
Energy: 1.2018587427613625
Energy: 1.2527422323546058
Energy: 1.2553028734598786
Energy: 1.2416881269440299
Energy: 1.243296201125113
Energy: 1.24141397329641
Energy: 1.15323578559986
Energy: 1.2013455575978285
Energy: 1.3402829689152391
Energy: 1.2610839980687678
Energy: 1.2408430359014202
Energy: 1.240106190901826
Energy: 1.243133169215436
Energy: 1.1517820574475304
Energy: 1.2083349620813826
Energy: 1.1502431329337386
Energy: 1.3200469902629277
Energy: 1.2027151791305564
Energy: 1.3802989349592487
Energy: 1.2735735381197406
Energy: 1.2544619331806388
Energy: 1.3397054760903535
Energy: 1.2032492958000323
Energy: 1.3209074566407197
Energy: 1.2015099773765499
Energy: 1.24076133932878
Energy: 1.1678627594918765
Energy: 1.2530761178903664
Energy: 1.2015143463223854
Energy: 1.2183166374603394
Energy: 1.2725247736281535
Energy: 1.1685452049113794
Energy: 1.271186773796792
Energy: 1.242780588267615
Energy: 1.2351636427638308
Energy: 1.201171042586588
Energy: 1.1926929205554535
Energy: 1.168558823904023
Energy: 1.1690366206273282
Energy: 1.2431302899753265
Energy: 1.1689622971548932
Energy: 1.2740207663226277
Energy: 1.2736128694515152
Energy: 1.2195140380859029
Energy: 1.3301493008049257
Energy: 1.2025452969061101
Energy: 1.269872433248411
Energy: 1.1682182455532728
Energy: 1.270767159983825
Energy: 1.3287732923603552
Energy: 1.2186709237406903
Energy: 1.2523533405651217
Energy: 1.2011183075248102
Energy: 1.27097759286095
Energy: 1.2430515623325502
Energy: 1.2345142439812329
Energy: 1.2072763477256365
Energy: 1.3212611886927976
Energy: 1.2610512889152208
Energy: 1.2400726345594464
Energy: 1.2402946479790447
Energy: 1.242520188863042
Energy: 1.220889814785715
Energy: 1.20659923540717
Energy: 1.220796076138803
Energy: 1.271129517676468
Energy: 1.2014680702921137
Energy: 1.2995493455687372
Energy: 1.2713721108396385
Energy: 1.2530942150683415
Energy: 1.2185518647577096
Energy: 1.2213688511684213
Energy: 1.2752767402540255
Energy: 1.213774673438003
Energy: 1.2444273139643207
Energy: 1.1690906560124605
Energy: 1.2564029404451225
Energy: 1.3276672660464544
Energy: 1.2047347463355609
Energy: 1.338622191552347
Energy: 1.2054702155627628
Energy: 1.2403067310171585
Energy: 1.2421193034723828
Energy: 1.151666231972059
Energy: 1.201070311750868
Energy: 1.2924259897899146
Energy: 1.168793529864896
Energy: 1.169275790806717
Energy: 1.2428214441607368
Energy: 1.167759535946922
Energy: 1.2335218198049946
Energy: 1.2007283512454672
Energy: 1.2182883322513416
Energy: 1.1685056717588225
Energy: 1.1685301358411897
Energy: 1.2439056934890131

minimum gb energy = 1.1500964575603052 eV
minimum distance =  2.62540403662683 Angstroms
sigma value = 21


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

Energy: 1.5002737095912393
Energy: 1.4089217838630934
Energy: 1.2022853721780011
Energy: 1.224574936446527
Energy: 1.2133216445521282
Energy: 1.2136202311856976
Energy: 1.4088576217250708
Energy: 1.263264572536407
Energy: 1.263833625234504
Energy: 1.3373297226091168
Energy: 1.2340011403017142
Energy: 1.1378163346920116
Energy: 1.3245960435469228
Energy: 1.2227608830978698
Energy: 1.213493389549639
Energy: 1.2229309696389847
Energy: 1.262957624365546
Energy: 1.1875898391802708
Energy: 1.3221470713174328
Energy: 1.3169361208344423
Energy: 1.225175146328794
Energy: 1.4361050455720632
Energy: 1.222458622116601
Energy: 1.287743121792038
Energy: 1.2514238564315885
Energy: 1.2462242806820334
Energy: 1.2136973437211376
Energy: 1.1935394935344774
Energy: 1.1923919224698085
Energy: 1.19674975214547
Energy: 1.25028405912061
Energy: 1.168619997170191
Energy: 1.1181648766316963
Energy: 1.2366210448449917
Energy: 1.205834324418862
Energy: 1.164156055668219
Energy: 1.137631976870442
Energy: 1.2822622565536177
Energy: 1.2213610586042298
Energy: 1.1132166251547462
Energy: 1.2220715556991422
Energy: 1.2045415100140149
Energy: 1.3785668601559824
Energy: 1.1643720122902723
Energy: 1.2416061123297966
Energy: 1.2168250779494427
Energy: 1.1634915137057968
Energy: 1.1638743017608484
Energy: 1.204035444419471
Energy: 1.2134565594147595
Energy: 1.1692228506947353
Energy: 1.2617589938917337
Energy: 1.2508378849598318
Energy: 1.225560323019908
Energy: 1.1935906505348248
Energy: 1.2100366355895267
Energy: 1.2244844290497527
Energy: 1.1675021010627358
Energy: 1.2595581126599456
Energy: 1.2975177162708187
Energy: 1.2111749474493374
Energy: 1.353691171111398
Energy: 1.2199577899305822
Energy: 1.4755556625784119
Energy: 1.3226340108361359
Energy: 1.1543483025956174
Energy: 1.2321902272025884
Energy: 1.2135399546561612
Energy: 1.2131553713011045
Energy: 1.3262690089306777
Energy: 1.3171961294093955
Energy: 1.2324581015335785
Energy: 1.2406864824395512
Energy: 1.2904904925707137
Energy: 1.1635146386203683
Energy: 1.1633365447901485
Energy: 1.2156997353398924
Energy: 1.2144091129091141
Energy: 1.2701560841097876
Energy: 1.361051137152913
Energy: 1.2782475360353551
Energy: 1.2942197632499983
Energy: 1.40743420140675
Energy: 1.3811177852339207
Energy: 1.4070361427077003
Energy: 1.3302140059233805
Energy: 1.209444598878301
Energy: 1.237286220071709
Energy: 1.1728727092124767
Energy: 1.2153758484047321
Energy: 1.1637434637200157
Energy: 1.1626036356601637
Energy: 1.2186784311414387
Energy: 1.3187492441369282
Energy: 1.2450730600974855
Energy: 1.2631987134454912
Energy: 1.2259875903043471
Energy: 1.2219901218960962
Energy: 1.2147172247692253
Energy: 1.2522772502092392
Energy: 1.2264857998459138
Energy: 1.1776413395075611
Energy: 1.344625228992327
Energy: 1.3263863925899482
Energy: 1.3643378902598535
Energy: 1.4428757551789715
Energy: 1.1187658649104835
Energy: 1.2249582552068792
Energy: 1.2320640684477842
Energy: 1.2264526034007994
Energy: 1.216752479216027
Energy: 1.224682783365669
Energy: 1.1928340265932798
Energy: 1.2648894359800344
Energy: 1.2310629017820354
Energy: 1.167120504499004
Energy: 1.0797719017684908
Energy: 1.206889970768204
Energy: 1.2178944389145259
Energy: 1.1632458531989072
Energy: 1.1285071708170265
Energy: 1.2961833162476042
Energy: 1.1568629685323903
Energy: 1.2241920302419969
Energy: 1.2051705556108632
Energy: 1.1922293992700976
Energy: 1.162752427255352
Energy: 1.1144721935687751
Energy: 1.2470315099480387
Energy: 1.2974030157685608
Energy: 1.164093577886082
Energy: 1.1636416429028325
Energy: 1.2049919317736906
Energy: 1.1873283568351798
Energy: 1.1678953401906969
Energy: 1.2169886767526388
Energy: 1.3257325300702134
Energy: 1.1979774240357373
Energy: 1.1927363942015572
Energy: 1.2155511052780674
Energy: 1.2132161588999362
Energy: 1.1286931941109477
Energy: 1.2763044751245223
Energy: 1.2675678737479719
Energy: 1.2231688399267888
Energy: 1.2034835305650613
Energy: 1.2439482948767644
Energy: 1.3157226136009192
Energy: 1.1825742960169938
Energy: 1.234777656476713
Energy: 1.2696535888883942
Energy: 1.1428923494214283
Energy: 1.206861611010715
Energy: 1.2091822151466611
Energy: 1.4364913451802142
Energy: 1.1694528476920085
Energy: 1.1787380373125163
Energy: 1.2319649860362
Energy: 1.2436504016258179
Energy: 1.2246775300485913
Energy: 1.1924521544879219
Energy: 1.2144323288208798
Energy: 1.2529234597821821
Energy: 1.1390439007905264
Energy: 1.300917533877532
Energy: 1.4077855730914774
Energy: 1.4085711546060196
Energy: 1.4155418005852092
Energy: 1.1626625306162293
Energy: 1.2771392906819
Energy: 1.287490077398423
Energy: 1.2734578113992752
Energy: 1.2878086301881142
Energy: 1.2246248513338334
Energy: 1.2027986028203845

minimum gb energy = 1.0797719017684908 eV
minimum distance =  2.60095726795312 Angstroms
sigma value = 113


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

Energy: 1.4581806368943353
Energy: 1.2069076267808112
Energy: 1.1469430711702897
Energy: 1.3170684533220531
Energy: 1.2294179123191513
Energy: 1.393077810660645
Energy: 1.41293083801481
Energy: 1.269742355578715
Energy: 1.1537776568341143
Energy: 1.2229121464536887
Energy: 1.3100809981509824
Energy: 1.1279622897484134
Energy: 1.227410182198449
Energy: 1.1378308862494013
Energy: 1.3205265202681038
Energy: 1.2902120593507012
Energy: 1.3101035361353646
Energy: 1.2577384668824716
Energy: 1.2545347912995708
Energy: 1.298121150976774
Energy: 1.2709264445816058
Energy: 1.3268575385433732
Energy: 1.1775911596498143
Energy: 1.319083976577736
Energy: 1.2730777243601703
Energy: 1.3133866663682392
Energy: 1.39215945073702
Energy: 1.1605271649867261
Energy: 1.1238072025331203
Energy: 1.1825929335080447
Energy: 1.1338059203464963
Energy: 1.2273850068865286
Energy: 1.2044170374404068
Energy: 1.15062539388449
Energy: 1.3340366619698005
Energy: 1.268336749811244
Energy: 1.2397777402733272
Energy: 1.2315389857310302
Energy: 1.1398264673574303
Energy: 1.2277173715815388
Energy: 1.3467428271826192
Energy: 1.182206077550096
Energy: 1.2579829764159542
Energy: 1.1590314786693956
Energy: 1.270305529661546
Energy: 1.2168084719917212
Energy: 1.124353073078294
Energy: 1.2461836965009097
Energy: 1.2193293418489148
Energy: 1.2045293365968213
Energy: 1.1619372165971673
Energy: 1.153732423398027
Energy: 1.1389821508861186
Energy: 1.2322485868784392
Energy: 1.1428032786898086
Energy: 1.1871439815607203
Energy: 1.1333076227187164
Energy: 1.2139994823043965
Energy: 1.2363571274534406
Energy: 1.1459124686903652
Energy: 1.1277053850892629
Energy: 1.3705938451427406
Energy: 1.32806561105259
Energy: 1.2787994408006018
Energy: 1.1746336246842008
Energy: 1.2145722168557387
Energy: 1.1561055087747887
Energy: 1.1909376474470998
Energy: 1.193332075404427
Energy: 1.1424582605976108
Energy: 1.2827666866949408
Energy: 1.1502931375466785
Energy: 1.2304340251843373
Energy: 1.159548487997167
Energy: 1.1965122549922287
Energy: 1.2435148135757437
Energy: 1.1591281882127888
Energy: 1.1645661354161716
Energy: 1.1544367090258525
Energy: 1.368072645897157
Energy: 1.1946006658685298
Energy: 1.2931445012700569
Energy: 1.443434186448989
Energy: 1.1611726434255036
Energy: 1.2045270063027622
Energy: 1.1743666900320207
Energy: 1.2360245839654207
Energy: 1.250460737956963
Energy: 1.1817028051161986
Energy: 1.2155870235923705
Energy: 1.164057211623806
Energy: 1.3709601283215607
Energy: 1.1625202144645232
Energy: 1.2121957406424795
Energy: 1.211274269109525
Energy: 1.177905366617189
Energy: 1.1944617205104693
Energy: 1.1833875421754623
Energy: 1.2352297810034072
Energy: 1.3546781882918588
Energy: 1.306824290569689
Energy: 1.1464186591718764
Energy: 1.233798039587905
Energy: 1.311515659216151
Energy: 1.2427496309929535
Energy: 1.1221899696842996
Energy: 1.2564958690187473
Energy: 1.1452065059274812
Energy: 1.209052451784466
Energy: 1.1499191358704675
Energy: 1.186943967629988
Energy: 1.2173740588848951
Energy: 1.26781642507674
Energy: 1.159575681461431
Energy: 1.222352529178758
Energy: 1.1731758048441958
Energy: 1.120249592834027
Energy: 1.202349274296773
Energy: 1.2653836463921997
Energy: 1.2995258097699658
Energy: 1.2832767678981494
Energy: 1.4050256554978169
Energy: 1.13402628652109
Energy: 1.263708948713161
Energy: 1.3842800218282336
Energy: 1.1871518873918887
Energy: 1.1975200092998053
Energy: 1.189774072132231
Energy: 1.2799048216751523
Energy: 1.147044904418886
Energy: 1.1433683690476757
Energy: 1.1477579731572987
Energy: 1.2429360607740731
Energy: 1.2971255677765747
Energy: 1.2641668619650712
Energy: 1.219055376425985
Energy: 1.2752950641480316
Energy: 1.31876647448285
Energy: 1.3921007694679093
Energy: 1.282566657539797
Energy: 1.3402604573135788
Energy: 1.175411129748395
Energy: 1.163198151303424
Energy: 1.2505544400504822
Energy: 1.2137776723296971
Energy: 1.1236312251176688
Energy: 1.2434494949473769
Energy: 1.2988597721216801
Energy: 1.165136522069306
Energy: 1.2166901230578164
Energy: 1.1338202793414869
Energy: 1.2145701815333967
Energy: 1.121387525695909
Energy: 1.2438480820145
Energy: 1.2992535623236272
Energy: 1.2428226165196592
Energy: 1.2730582258122434
Energy: 1.3162151394754296
Energy: 1.2285279861514085
Energy: 1.3923163467226098
Energy: 1.3171785813738444
Energy: 1.321107694035895
Energy: 1.1887228090488486
Energy: 1.2317374234405962
Energy: 1.1999890694230673
Energy: 1.128368285679173
Energy: 1.2106397463737293
Energy: 1.137573913428792
Energy: 1.3037278757473059
Energy: 1.2934607942135254
Energy: 1.3881889061674386
Energy: 1.1413045133761235
Energy: 1.147476901585079
Energy: 1.3016113590106746
Energy: 1.2747054983951005
Energy: 1.3271156925671994
Energy: 1.1473011337001
Energy: 1.1403670539795214
Energy: 1.1778820072297032
Energy: 1.1621801980207895
Energy: 1.1261715060916129
Energy: 1.2074206210592333
Energy: 1.1476981146890952
Energy: 1.2921248805919419
Energy: 1.1336963134548719
Energy: 1.22740037485797
Energy: 1.2329519213669404
Energy: 1.1687718542238013
Energy: 1.3343942980813461
Energy: 1.2691924487803534
Energy: 1.239450012345536
Energy: 1.3176331999412456
Energy: 1.1417919223023665
Energy: 1.324786303280072
Energy: 1.3478989676380697
Energy: 1.1240198070595853
Energy: 1.2604744247419486
Energy: 1.174601669193661
Energy: 1.209478344422748
Energy: 1.1644302484373978
Energy: 1.1404955470124543
Energy: 1.2647505042617184
Energy: 1.2769690951130799
Energy: 1.202089108667036
Energy: 1.1841223911070822
Energy: 1.2347820821449975
Energy: 1.1592752522940324
Energy: 1.3030658562654802
Energy: 1.1530208658237755
Energy: 1.1870072639055165
Energy: 1.1345431401713402
Energy: 1.2330203999130924
Energy: 1.3094028384112937
Energy: 1.2200165712250697
Energy: 1.2917771736334585
Energy: 1.325045700561153
Energy: 1.327324792006711
Energy: 1.2145356058707335
Energy: 1.1752087660759063
Energy: 1.2210784052964458
Energy: 1.1451071148994731
Energy: 1.1908404202930134
Energy: 1.2581224599999872
Energy: 1.1386907438774736
Energy: 1.2806358274765641
Energy: 1.150332982821028
Energy: 1.2285758895707504
Energy: 1.240833503689022
Energy: 1.1975547060327254
Energy: 1.2416231220104887
Energy: 1.1828819200599754
Energy: 1.18984418041016
Energy: 1.1558020617355036
Energy: 1.369856072283641
Energy: 1.2770581004861619
Energy: 1.278685537424834
Energy: 1.44269164299423
Energy: 1.2334098941156757
Energy: 1.2004263956717691
Energy: 1.1728877847288255
Energy: 1.2362836266418942
Energy: 1.2509579301530358
Energy: 1.1318680968056731
Energy: 1.1850488901710103
Energy: 1.1478990827887627
Energy: 1.3707066637875163
Energy: 1.1982516565673011
Energy: 1.2122675780184609
Energy: 1.1818501856867223
Energy: 1.1642053372458938
Energy: 1.1944660208133269
Energy: 1.1837017064323039
Energy: 1.2344330537094985
Energy: 1.1745885106173528
Energy: 1.3021461156267538
Energy: 1.1453397016886653
Energy: 1.1392580664008705
Energy: 1.3107031187582843
Energy: 1.137868691363698
Energy: 1.122682733570424
Energy: 1.256999722811011
Energy: 1.14573482551556
Energy: 1.2178432662952272
Energy: 1.1513904675880176
Energy: 1.1544306668156252
Energy: 1.2808941237586182
Energy: 1.2671735261624937
Energy: 1.1448609786312645
Energy: 1.2207881831115734
Energy: 1.1395820725193773
Energy: 1.1189155696484914
Energy: 1.1902152550547132
Energy: 1.238705809020324
Energy: 1.2995712154207577
Energy: 1.2830838642417621
Energy: 1.4057711662954933
Energy: 1.1345539179829085
Energy: 1.3603831685162548
Energy: 1.2110317500988625
Energy: 1.1838393509615552
Energy: 1.196242089264487
Energy: 1.1896050071992885
Energy: 1.2348556091737806
Energy: 1.187635146305046
Energy: 1.1404823054581033
Energy: 1.1458513697222967
Energy: 1.2486489635538363
Energy: 1.3001185051253095
Energy: 1.3535384910726769
Energy: 1.2450310193998773
Energy: 1.316240073304094
Energy: 1.3173415896479064
Energy: 1.393232861464038
Energy: 1.3475447947019987
Energy: 1.2864018449596697
Energy: 1.1749747629642917
Energy: 1.1610601440685335
Energy: 1.1496999707153144
Energy: 1.2147529831929176
Energy: 1.1214756480864025
Energy: 1.1369042585817057
Energy: 1.3538029676110435
Energy: 1.1786309159574127
Energy: 1.162454971675171
Energy: 1.1331162669743804
Energy: 1.2135580204312792
Energy: 1.123524580854613
Energy: 1.2432538410146698
Energy: 1.2993668061532782
Energy: 1.2730178556965452
Energy: 1.3241709854615535
Energy: 1.232195193234963
Energy: 1.2863209390066674
Energy: 1.3917082446173705
Energy: 1.271490472242421

minimum gb energy = 1.1189155696484914 eV
minimum distance =  2.5671242731479 Angstroms
sigma value = 365


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

Energy: 1.233810356104274
Energy: 1.0417209812573576
Energy: 1.0424856846856922
Energy: 1.0425188478838767
Energy: 1.0426199801324076
Energy: 1.0425058370860667
Energy: 1.0418806079459986
Energy: 1.3150096408575849
Energy: 1.2507464873983316
Energy: 1.0416085253907406
Energy: 1.0401133703844312
Energy: 1.0398919127526653
Energy: 1.0410035516927676
Energy: 1.2500309417031141
Energy: 1.040423937104887
Energy: 1.2506984178188412
Energy: 1.0404032407211945
Energy: 1.0411154701709353
Energy: 1.0406654450138748
Energy: 1.0404303425739228
Energy: 1.041306909131232
Energy: 1.2361515042943219
Energy: 1.2511594937406152
Energy: 1.040204157721774
Energy: 1.041271050181919
Energy: 1.042952004761533
Energy: 1.0404517772977133
Energy: 1.0427976364938734
Energy: 1.3145451457424453
Energy: 1.2496137560856597
Energy: 1.0517400997707245
Energy: 1.2525755098737212
Energy: 1.0413368336136255
Energy: 1.0505242094156255
Energy: 1.2500199990896828
Energy: 1.2344795983919705
Energy: 1.2518887239513146
Energy: 1.0424495659755255
Energy: 1.042259504461074
Energy: 1.0417341753771863
Energy: 1.0418374468989475
Energy: 1.0414790230834696
Energy: 1.1164656974784237
Energy: 1.2515848061515606
Energy: 1.0403797102154198
Energy: 1.0405639851425705
Energy: 1.0401109534267376
Energy: 1.040068219966165
Energy: 1.251933786134759
Energy: 1.0409892547664987
Energy: 1.2513363058417488
Energy: 1.04033909868718
Energy: 1.0409593612632186
Energy: 1.0407944732552052
Energy: 1.0402918783553698
Energy: 1.2518283542767514
Energy: 1.235487554231235
Energy: 1.251695861168589
Energy: 1.0427000203465762
Energy: 1.0412536082019777
Energy: 1.0413449897690679
Energy: 1.040403880256086
Energy: 1.0421746497273294
Energy: 1.31440265375089
Energy: 1.2502329881747265
Energy: 1.0519047686249818
Energy: 1.2494929650264068
Energy: 1.2506426971500553
Energy: 1.052713958636533
Energy: 1.249821560262352
Energy: 1.2356263939293588
Energy: 1.2517169811859128
Energy: 1.0401669921670842
Energy: 1.0419635969425565
Energy: 1.0410245897938901
Energy: 1.0419710634491017
Energy: 1.04191932489805
Energy: 1.040312042806344
Energy: 1.2511788161549389
Energy: 1.0402354317716622
Energy: 1.0408252777597722
Energy: 1.04049850061853
Energy: 1.0405202547337802
Energy: 1.2516723217675447
Energy: 1.1146959256153217
Energy: 1.2516109769137154
Energy: 1.0409272142043653
Energy: 1.0400122690309272
Energy: 1.0401265461458449
Energy: 1.0400627552236223
Energy: 1.2522492200205455
Energy: 1.2340659949187054
Energy: 1.2515826291650485
Energy: 1.0422967924606368
Energy: 1.0420115944406994
Energy: 1.0423886548255354
Energy: 1.0428199349942633
Energy: 1.0419247881155047
Energy: 1.3146471932014538
Energy: 1.2502470323971377
Energy: 1.051033624094826
Energy: 1.0399604661313702
Energy: 1.040497783254415
Energy: 1.0406375375457182
Energy: 1.2502315323874864
Energy: 1.2361790364790235
Energy: 1.2507241648052472
Energy: 1.0403923118170122
Energy: 1.0430980924138487
Energy: 1.0406205103877086
Energy: 1.0404291482517058
Energy: 1.041091575485303
Energy: 1.0406709257564266
Energy: 1.2506214760179726
Energy: 1.040173633272511
Energy: 1.0406599713987834
Energy: 1.0410070505286866
Energy: 1.0404531580182588
Energy: 1.0412543312594273
Energy: 1.3148157250816983
Energy: 1.251607388661807
Energy: 1.0416448216539576
Energy: 1.0397032243447186
Energy: 1.0397553765496135
Energy: 1.041734412685849
Energy: 1.2502504463507924
Energy: 1.233933704649941
Energy: 1.250537280262079
Energy: 1.0422071962577928
Energy: 1.0421310286123193
Energy: 1.0422396078499911
Energy: 1.0426508620541137
Energy: 1.0418149312627
Energy: 1.1139864503734633
Energy: 1.2504642372723545
Energy: 1.0408870057720165
Energy: 1.0409436446719371
Energy: 1.0397932197838697
Energy: 1.040655988583593
Energy: 1.2512786601399912

minimum gb energy = 1.0397032243447186 eV
minimum distance =  2.71150670119395 Angstroms
sigma value = 23