Model name: model_name=MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657310605049
cohesive_energy=4.29033744093271
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.8556409774987998e-19, 2.4558483881278797e-19, 3.6251489391537603e-19, 4.0814328227506194e-19, 4.466163497873039e-19, 4.7975577128496e-19, 5.086766617052939e-19, 5.34122431006482e-19, 5.56616990947842e-19, 5.765528748047039e-19, 5.94229689607626e-19, 6.09886159675074e-19, 6.23712944026494e-19, 6.35868658148652e-19, 6.4648628270216995e-19, 6.55679572228062e-19, 6.63543055147734e-19, 6.70161646822788e-19, 6.756106495550219e-19, 6.799525482331619e-19, 6.83246623392666e-19, 6.85544144685822e-19, 6.8689317741165e-19, 6.87333775986e-19, 6.868579295257019e-19, 6.8531503342715995e-19, 6.825224395540979e-19, 6.78207777878736e-19, 6.72084258783588e-19, 6.638154251755139e-19, 6.52978302423138e-19, 6.390537852970439e-19, 6.21410616203436e-19, 5.99265330768288e-19, 5.716470099513959e-19, 5.37333192981018e-19, 4.94780983758612e-19, 4.42026113730894e-19, 3.7653714381614393e-19, 2.95007181441786e-19, 1.9309593010631396e-19, 6.49823616630792e-20, -9.72234427220514e-20, -3.0442157134317e-19, -5.71948219158588e-19, -9.21913263499842e-19, -1.3869658598145839e-18, -2.01685199041188e-18, -2.8901183647735795e-18, -4.13624328539976e-18, -5.9802043952366996e-18, -8.83983333866526e-18, -1.3560662812512598e-17, -2.2064695950457802e-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: 0.01491720674137186
Energy: 0.015278359608681819
Energy: 0.09729489781528648
Energy: 0.09703965899617059
Energy: 0.11072794659337938
Energy: 0.10927617066780881
Energy: 0.1103428454309251
Energy: 0.09621046970214348
Energy: 0.09653678995496495
Energy: 0.01760970799902957
Energy: 0.015196015508001948
Energy: 0.09562081579394939
Energy: 0.10986380803771591
Energy: 0.01564065977494719
Energy: 0.016417109830679198
Energy: 0.09601862935160799
Energy: 0.09579429296510436
Energy: 0.10917687116314234
Energy: 0.0956156773988724
Energy: 0.11007493931743835
Energy: 0.09635401408241581
Energy: 0.09595619751125525
Energy: 0.10903853058048368
Energy: 0.01521785417431715
Energy: 0.09699133608987708
Energy: 0.10907658325278703
Energy: 0.015351064932770447
Energy: 0.015279186680372134
Energy: 0.10930022856027283
Energy: 0.09722390619015388
Energy: 0.01656083320339307
Energy: 0.10942376914016799
Energy: 0.09542675044116382
Energy: 0.09621474030480015
Energy: 0.09601772875957386
Energy: 0.11069913582627437
Energy: 0.01608106010258454
Energy: 0.015514394742636575
Energy: 0.09604682600364854
Energy: 0.015164653589790996
Energy: 0.01679399380501119
Energy: 0.0978256506237763
Energy: 0.09607300912723934
Energy: 0.015779589632390456
Energy: 0.015178865537808612
Energy: 0.09571314835317558
Energy: 0.09623332696060417
Energy: 0.09753867929486588
Energy: 0.09572589437732061
Energy: 0.015110850577788309
Energy: 0.09606914016171263
Energy: 0.09584604596945187
Energy: 0.11058210787931805
Energy: 0.015361265257949243
Energy: 0.015138604345845564
Energy: 0.09655690322575769
Energy: 0.015450523348241851
Energy: 0.01692154671833503
Energy: 0.11002245796988384
Energy: 0.09621385927914253
Energy: 0.015133427236919603
Energy: 0.10932297262969709
Energy: 0.09553522617010389
Energy: 0.10915910593051206
Energy: 0.09637162009156175
Energy: 0.1091757438058311
Energy: 0.015193515014366145
Energy: 0.016640598854076656
Energy: 0.10908428100582987
Energy: 0.09608595283197767

minimum gb energy = 0.01491720674137186 eV
minimum distance =  2.47917393449701 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.3422400667839787
Energy: 1.2792519838322791
Energy: 1.212903676419981
Energy: 1.2434095975756208
Energy: 1.2692812238560633
Energy: 1.2589809368118732
Energy: 1.2546942260872047
Energy: 1.2694934004438516
Energy: 1.2214230102173733
Energy: 1.2856108671251567
Energy: 1.2571170281986652
Energy: 1.2534821379330465
Energy: 1.2793445155775052
Energy: 1.223498364860906
Energy: 1.2771652621581133
Energy: 1.2132940660981377
Energy: 1.2604897177572907
Energy: 1.269850555475351
Energy: 1.2594362757426776
Energy: 1.2983737927696943
Energy: 1.297687093736365
Energy: 1.223473046820691
Energy: 1.3003002100963
Energy: 1.269480049001645
Energy: 1.253302197211721
Energy: 1.3282076020738491
Energy: 1.2245436204798847
Energy: 1.2473707498742865
Energy: 1.3000573317325892
Energy: 1.375123316723033
Energy: 1.4251522695474963
Energy: 1.245848663077896
Energy: 1.277752274557525
Energy: 1.2420244643150486
Energy: 1.2122218168963015
Energy: 1.2511201234566085
Energy: 1.293233666583029
Energy: 1.314362991586011
Energy: 1.2480396964751477
Energy: 1.329035491228755
Energy: 1.4278118634446273
Energy: 1.2560147985373433
Energy: 1.3575691588966756
Energy: 1.2762589979989563
Energy: 1.2140675282506734
Energy: 1.2871396254308844
Energy: 1.2719319183095386
Energy: 1.254509051986188
Energy: 1.2417909590506313
Energy: 1.2456220729980625
Energy: 1.2583532161337578
Energy: 1.2460423870687625
Energy: 1.2134380259680762
Energy: 1.2159478215864186
Energy: 1.3248339682519252
Energy: 1.3823001373839583
Energy: 1.2549175990855004
Energy: 1.2161258748850772
Energy: 1.2220544490853162
Energy: 1.247129124055421
Energy: 1.255312478271178
Energy: 1.2141873031691888
Energy: 1.2139728271894035
Energy: 1.2127978697356967
Energy: 1.2499736968720574
Energy: 1.2453752705999732
Energy: 1.2207214056951128
Energy: 1.2144873986975244
Energy: 1.218038701472295
Energy: 1.2750443048666251
Energy: 1.2886936381845355
Energy: 1.2129042505650787
Energy: 1.2510009703084428
Energy: 1.2264653279505804
Energy: 1.2054996224904098
Energy: 1.2032156963908414
Energy: 1.2027861288834172
Energy: 1.3033531499265818
Energy: 1.2136110828005768
Energy: 1.2111271565734432
Energy: 1.2119216695251516
Energy: 1.2660912395355548
Energy: 1.2043898212494752
Energy: 1.2014728479470176
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Energy: 1.2458196775344688
Energy: 1.2418362213063507
Energy: 1.2534730609762346
Energy: 1.2421333756334167
Energy: 1.2125950317761522
Energy: 1.211840210652186
Energy: 1.2758717390568248
Energy: 1.211833971509913
Energy: 1.2243481791131996
Energy: 1.2624313312490603
Energy: 1.2157034643487856
Energy: 1.2136507859325003
Energy: 1.2127719780603123
Energy: 1.2156997634009459
Energy: 1.3093016298218094
Energy: 1.2429879089630012
Energy: 1.2403338721157398
Energy: 1.3212590366640775
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Energy: 1.2798226636577914
Energy: 1.2465086548481819
Energy: 1.2417880635789906
Energy: 1.2242075512661863
Energy: 1.297613696017368
Energy: 1.2118496809849617
Energy: 1.2134522044996112
Energy: 1.2158535365697474
Energy: 1.2819440692699955
Energy: 1.2885920012578989
Energy: 1.284797321685621
Energy: 1.2417977502991724
Energy: 1.2148093985433106
Energy: 1.2590799259561893
Energy: 1.2937084897366526
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Energy: 1.2140979952274606
Energy: 1.2702189785706244
Energy: 1.2632625361780347
Energy: 1.3004250392891912
Energy: 1.2769273917624866
Energy: 1.322918127899112
Energy: 1.2137942054690385
Energy: 1.296337086741598
Energy: 1.3268111449967956
Energy: 1.282189635021185
Energy: 1.2310861358042327
Energy: 1.2695647632369103
Energy: 1.310987371651044
Energy: 1.2443430306537104
Energy: 1.2300028670214822
Energy: 1.256253216435575
Energy: 1.2840188240127843
Energy: 1.2483331377718352
Energy: 1.2579318428368285
Energy: 1.2221124410102258
Energy: 1.315083902346324
Energy: 1.3124341765953982
Energy: 1.300001878015091
Energy: 1.260807594317252
Energy: 1.2352478731997196
Energy: 1.284844893725024
Energy: 1.265295140116352
Energy: 1.298079956825737
Energy: 1.257105825660507
Energy: 1.2939521040450281
Energy: 1.3109996778159443
Energy: 1.2685651600314924
Energy: 1.2460412968839905
Energy: 1.2990148386827653
Energy: 1.3143955183486615
Energy: 1.2786320808530456
Energy: 1.2149855352848253
Energy: 1.2246934476636033
Energy: 1.2600291654975675
Energy: 1.305823428692958
Energy: 1.318665550938923
Energy: 1.2620439504666638
Energy: 1.2206577713093725
Energy: 1.2829223836876573
Energy: 1.2697083345237772
Energy: 1.2175002661241083
Energy: 1.2399714071563122
Energy: 1.247660444788454
Energy: 1.3319756543346706
Energy: 1.283004453114763
Energy: 1.216465831932218
Energy: 1.3114061046546333
Energy: 1.214611508470936
Energy: 1.2829003984685252
Energy: 1.2797657535355176
Energy: 1.2580750520664712
Energy: 1.2844309621189827
Energy: 1.259043504608898
Energy: 1.2930699259654348
Energy: 1.2685626805703392
Energy: 1.2141799908298088
Energy: 1.2805635960794144
Energy: 1.3125245951145552
Energy: 1.433849395900358
Energy: 1.4513703933953532
Energy: 1.2142191723075155
Energy: 1.2412811827686014
Energy: 1.2810419185910267
Energy: 1.2138668093184046
Energy: 1.2159395559042934
Energy: 1.2179687383637194
Energy: 1.2843374027976344
Energy: 1.2548928414384861
Energy: 1.2822596823399466
Energy: 1.2515361060011787
Energy: 1.342649231704764
Energy: 1.2144758081936868
Energy: 1.2194005117219715
Energy: 1.329898323009326
Energy: 1.2421523737683282
Energy: 1.2633820441906756
Energy: 1.2161189912071788
Energy: 1.2353834451609622
Energy: 1.2137253968840294
Energy: 1.2130185645921576
Energy: 1.278761659421085
Energy: 1.2074382566410056
Energy: 1.2011804516542832
Energy: 1.2963762525217715
Energy: 1.2515886193525996
Energy: 1.2127214404125508
Energy: 1.2637203040312108
Energy: 1.2159114416355226
Energy: 1.2527108087520935
Energy: 1.236860294907238
Energy: 1.2368662047263181
Energy: 1.2477384152194086
Energy: 1.2515516897364318
Energy: 1.30236694077593
Energy: 1.2567733009250368
Energy: 1.2158535704978857
Energy: 1.2489640199312828
Energy: 1.2566915521586577
Energy: 1.2053475171492116
Energy: 1.2162179167289904
Energy: 1.202507178009984
Energy: 1.2473646065362516
Energy: 1.2153801677455884
Energy: 1.2147173095349326
Energy: 1.213956438687316
Energy: 1.2771674837875042
Energy: 1.2140568994959804
Energy: 1.2543902600519496
Energy: 1.210290042612671
Energy: 1.2128163528890055
Energy: 1.2633692831788945
Energy: 1.2264342266183639
Energy: 1.2149408668673953
Energy: 1.2580752864944837
Energy: 1.2420527866296123
Energy: 1.2466509805796697
Energy: 1.239629578051592
Energy: 1.2335625277153777
Energy: 1.3336111875504404
Energy: 1.237582835605931
Energy: 1.2797155929946524
Energy: 1.3257196632518355
Energy: 1.260570762289846
Energy: 1.2525424130706866
Energy: 1.2416307506926396
Energy: 1.2448302446702402
Energy: 1.2383412040759507
Energy: 1.2137474112800597
Energy: 1.253807642914535
Energy: 1.2532249225731047
Energy: 1.262965141370146
Energy: 1.2942879933140636
Energy: 1.3225012481147491
Energy: 1.235555893842001
Energy: 1.278087523026064
Energy: 1.2973745955364513
Energy: 1.2768673258148693
Energy: 1.2696660135578122
Energy: 1.2544423217793308
Energy: 1.2525147980704947
Energy: 1.2150397205554306
Energy: 1.2473489714690356
Energy: 1.2988612489709277
Energy: 1.238516425954098
Energy: 1.2429924967225274
Energy: 1.3524396546573367
Energy: 1.240842119761627
Energy: 1.3690787230702977
Energy: 1.2931639328617655
Energy: 1.3008596149894243
Energy: 1.2474647326964359
Energy: 1.4102734619342636
Energy: 1.2802596963776793
Energy: 1.221313948576793
Energy: 1.2462256632415492
Energy: 1.264794003051488
Energy: 1.294767792347292
Energy: 1.2559576119392095
Energy: 1.2657802736468453
Energy: 1.3895064053785426
Energy: 1.227322775153686

minimum gb energy = 1.2011804516542832 eV
minimum distance =  2.25199908026515 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.384331612154392
Energy: 1.2787534507042895
Energy: 1.3053284166277552
Energy: 1.1877609463283234
Energy: 1.2900801903047994
Energy: 1.2611279050627235
Energy: 1.2518662334024804
Energy: 1.2468952559086726
Energy: 1.2647255026204989
Energy: 1.3413689724597535
Energy: 1.1885078380150345
Energy: 1.2235368207648813
Energy: 1.2906725047360312
Energy: 1.245278311160884
Energy: 1.3386539871816403
Energy: 1.2555074775203379
Energy: 1.2106580838073036
Energy: 1.2011804077042636
Energy: 1.2460802381712133
Energy: 1.2675481789655252
Energy: 1.2689553346412352
Energy: 1.2786087034895683
Energy: 1.2793616411066095
Energy: 1.233382456203341
Energy: 1.231225171348013
Energy: 1.3909442052593148
Energy: 1.3716758875779038
Energy: 1.311778783425989
Energy: 1.4211663394878358
Energy: 1.2445617782205793
Energy: 1.2715969476081475
Energy: 1.27953939319661
Energy: 1.4221475484424393
Energy: 1.3123734329630514
Energy: 1.2710594547732015
Energy: 1.2779049418999695
Energy: 1.241742952331073
Energy: 1.2607481018354112
Energy: 1.2547811739842787
Energy: 1.316027384241022
Energy: 1.2529643874224474
Energy: 1.2444552111695983
Energy: 1.245984242824217
Energy: 1.2980515403078936
Energy: 1.2464369156898745
Energy: 1.2455509765344066
Energy: 1.2470947703885757
Energy: 1.2963440124204149
Energy: 1.227507102969577
Energy: 1.2792230343840685
Energy: 1.1965893790619795
Energy: 1.2616580514262126
Energy: 1.2444864028153215
Energy: 1.2502874337108967
Energy: 1.2974214406842814
Energy: 1.1964687358758708
Energy: 1.2569795071925616
Energy: 1.1980027956101147
Energy: 1.2442785981831808
Energy: 1.1969962341146259
Energy: 1.2832078125872761
Energy: 1.3048999519388265
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Energy: 1.2947844288534336
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Energy: 1.198781770063421
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Energy: 1.2991328648304692
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Energy: 1.287748591765901
Energy: 1.3421400113584667
Energy: 1.3155464837502575
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Energy: 1.2497199354476993
Energy: 1.2751398648486585
Energy: 1.201566103375018
Energy: 1.251435290618352
Energy: 1.2674320896500872
Energy: 1.1866071971442231
Energy: 1.1852221603341575
Energy: 1.2962004725310137
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Energy: 1.2749490087229074
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Energy: 1.2677061698163812
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Energy: 1.2614926736669843
Energy: 1.2153364091273107
Energy: 1.2522337599875943
Energy: 1.228991778497835
Energy: 1.2856469409028173
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Energy: 1.2637159957320825
Energy: 1.2889404925565808
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Energy: 1.2612742346754071
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Energy: 1.2124596057098556
Energy: 1.2181646047537713
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Energy: 1.2605000346069835
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Energy: 1.2416495244169203
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Energy: 1.3152503749968767
Energy: 1.3090513850346959
Energy: 1.1846789018945802
Energy: 1.2803495871534225
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Energy: 1.1978202741867578
Energy: 1.3626429727054272
Energy: 1.2683804102160252
Energy: 1.2569827398610613
Energy: 1.2655820124194836
Energy: 1.312356941896352
Energy: 1.3107055637297946
Energy: 1.2121506406903568
Energy: 1.2931854245965875
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Energy: 1.2451063443126968
Energy: 1.4509536103859852
Energy: 1.456116273274315
Energy: 1.4484887662471648
Energy: 1.3027485346619727
Energy: 1.311703819709519
Energy: 1.2953176473509962
Energy: 1.2659393979850249
Energy: 1.2402541960993918
Energy: 1.2099420146608069
Energy: 1.2534482831058822
Energy: 1.2125270305211027
Energy: 1.3104085192710437
Energy: 1.2663499440025503
Energy: 1.2626924970380573
Energy: 1.2676868159618078
Energy: 1.266251119239712
Energy: 1.2627091128137984
Energy: 1.2674249927006862
Energy: 1.2508651227745866
Energy: 1.2341095901469938
Energy: 1.2213264697727522
Energy: 1.2115098453822308
Energy: 1.3101524062524046
Energy: 1.2335147119453262
Energy: 1.2741689125860778
Energy: 1.3016073582090195
Energy: 1.2114031410407486
Energy: 1.2577941900131357
Energy: 1.2115626517009945
Energy: 1.2596681666581255
Energy: 1.2504904668557577
Energy: 1.2820884359309808
Energy: 1.2803761119736896
Energy: 1.280516614085714
Energy: 1.214919083068739
Energy: 1.3505671806351391
Energy: 1.2098026769454882
Energy: 1.2215639664620987
Energy: 1.2752361108072494
Energy: 1.2063482989399776
Energy: 1.2813719816446305
Energy: 1.282983602875466
Energy: 1.193318718844978
Energy: 1.3127324675649947
Energy: 1.3087099142870269
Energy: 1.354627478963621
Energy: 1.3337256930166044
Energy: 1.3105191672505638
Energy: 1.2255765767971105
Energy: 1.2730146554722284
Energy: 1.214354751622659
Energy: 1.2823763069564715
Energy: 1.1845010379907697
Energy: 1.3098567286721639
Energy: 1.314857682644622
Energy: 1.2817597054435097
Energy: 1.3040379612654465
Energy: 1.2690490869790338
Energy: 1.3113092150676613
Energy: 1.210568072138788
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minimum gb energy = 1.1843199136641485 eV
minimum distance =  2.24531323174131 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.1835336118615307
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Energy: 1.3529999847449687
Energy: 1.2474299547070409
Energy: 1.255102485074737
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Energy: 1.4058729560141245
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Energy: 1.1727235679514847
Energy: 1.2558659051845344
Energy: 1.2909771139065467
Energy: 1.31595146161901
Energy: 1.1662325375837654
Energy: 1.1392074980624354
Energy: 1.1818568941618075
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Energy: 1.2628892621122674
Energy: 1.1961822603244867
Energy: 1.1722953872564033
Energy: 1.223023291648633
Energy: 1.3391546471768732
Energy: 1.237286645385943
Energy: 1.2717612238604372
Energy: 1.105864697376354
Energy: 1.404710771192959
Energy: 1.244012987840688
Energy: 1.1103164943323427
Energy: 1.3401329807671047
Energy: 1.42227204480101
Energy: 1.403053508623937
Energy: 1.1946606807874232
Energy: 1.4052656121586904
Energy: 1.4087863934875378
Energy: 1.403617587192242
Energy: 1.1844401744190713
Energy: 1.2715132668824212
Energy: 1.284797830040739
Energy: 1.2231416591519957
Energy: 1.158581643197908
Energy: 1.1785813879972145
Energy: 1.2273590530921514
Energy: 1.2716368486119474
Energy: 1.1801410441175875
Energy: 1.2078063144427194
Energy: 1.231027640229759
Energy: 1.1595457135214247
Energy: 1.2321960788987047
Energy: 1.2318595660879161
Energy: 1.159688522558217
Energy: 1.220724129881594
Energy: 1.1286113170825591
Energy: 1.2399693003795251
Energy: 1.1722393090318657
Energy: 1.1551797981936403
Energy: 1.1858786502284024
Energy: 1.2187702485918868
Energy: 1.1729403678695558
Energy: 1.2268971515414353
Energy: 1.242638017857944
Energy: 1.2386841225161707
Energy: 1.278529396490123
Energy: 1.2206996269611456
Energy: 1.3879023038703693
Energy: 1.145434750765197
Energy: 1.2312044128210693
Energy: 1.232882765797843
Energy: 1.1820343887092188
Energy: 1.2016879705416643
Energy: 1.1779503581548167
Energy: 1.2311851283814832
Energy: 1.2402381831108134
Energy: 1.387453274273341
Energy: 1.311014982328036
Energy: 1.2395248505742742
Energy: 1.175064648796657
Energy: 1.4049798985359754
Energy: 1.3901635017785694
Energy: 1.0811542883878553
Energy: 1.1692107146201676
Energy: 1.1138323660633649
Energy: 1.2256035880462874
Energy: 1.1454128489589908
Energy: 1.1155557586981355
Energy: 1.2158349330553564
Energy: 1.1858954587143367
Energy: 1.1783386492091608
Energy: 1.1440926843059225
Energy: 1.2271229434845257
Energy: 1.231539044529331
Energy: 1.1404903807435423

minimum gb energy = 1.0687253145207225 eV
minimum distance =  2.28526739613692 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.361087734280193
Energy: 1.1912637034899862
Energy: 1.2052150329758142
Energy: 1.228848176074184
Energy: 1.2166353423716552
Energy: 1.2035521111736422
Energy: 1.205786312636669
Energy: 1.2038301682880175
Energy: 1.2049629945475016
Energy: 1.1908947083967265
Energy: 1.189274853831059
Energy: 1.2052902508114622
Energy: 1.2769417904876836
Energy: 1.1927530845481735
Energy: 1.2755783247606942
Energy: 1.2060160621463611
Energy: 1.2034501344984463
Energy: 1.2052126764531406
Energy: 1.2033751416112006
Energy: 1.2162421381388042
Energy: 1.2198168299620398
Energy: 1.232075986547895
Energy: 1.211446471218077
Energy: 1.2686169522711692
Energy: 1.2116978490794639
Energy: 1.196297612364308
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Energy: 1.2115021781290813
Energy: 1.2623362471717476
Energy: 1.2125451734295474
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Energy: 1.204831504000495
Energy: 1.2173901294658047
Energy: 1.2197993598356975
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Energy: 1.2202533419103903
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Energy: 1.1974616867151227
Energy: 1.1979565339396832
Energy: 1.1984637279998915
Energy: 1.2077178705445148
Energy: 1.2032896821996713
Energy: 1.205709527890928
Energy: 1.234530045587913
Energy: 1.2051405542182563
Energy: 1.2083290346891675
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Energy: 1.2205675043897741
Energy: 1.2164906302446916
Energy: 1.229127772059162
Energy: 1.1989161312459047
Energy: 1.1985168619560795
Energy: 1.2100145628696413
Energy: 1.2061786590292385
Energy: 1.198334054967716
Energy: 1.2149055137105242
Energy: 1.2180861403397647
Energy: 1.2304808650829897
Energy: 1.2334553737651557
Energy: 1.215044724931883
Energy: 1.2687656504075253
Energy: 1.2156324883809964
Energy: 1.2048374303915126
Energy: 1.20572577355252
Energy: 1.197566552527351
Energy: 1.2219607376223247
Energy: 1.2332766878901074
Energy: 1.2191581457958613
Energy: 1.2188733254795625
Energy: 1.2103020945712952
Energy: 1.2153532546024317
Energy: 1.2052722415856212
Energy: 1.204402801861042
Energy: 1.203886167642894
Energy: 1.2128741070372548
Energy: 1.212152270375282
Energy: 1.2326672227272584
Energy: 1.2197723984382949
Energy: 1.2115040253354898
Energy: 1.2040112046913543
Energy: 1.2020666183476818
Energy: 1.2027354009747573
Energy: 1.2185327154051964
Energy: 1.210808283691016
Energy: 1.2118978397308202
Energy: 1.1967217690875467
Energy: 1.2152639537801984
Energy: 1.2758932205956006
Energy: 1.2149796046799772
Energy: 1.2053598648765305
Energy: 1.203574948519161
Energy: 1.206574848144634
Energy: 1.1895810509298168
Energy: 1.2155438731008315
Energy: 1.2380232920474845
Energy: 1.2289441939615977
Energy: 1.2118553512757595
Energy: 1.2730808269792466
Energy: 1.188287095326507
Energy: 1.188641225494798
Energy: 1.2743302678706667
Energy: 1.2311618086840486

minimum gb energy = 1.188287095326507 eV
minimum distance =  2.27894642917206 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.997663370770884
Energy: 1.156523215569113
Energy: 1.2528865438488008
Energy: 1.2585226294676084
Energy: 1.1429798178006585
Energy: 1.320084460392176
Energy: 1.3201159326122045
Energy: 1.2201907955376936
Energy: 1.3581233256543315
Energy: 1.1521800285515964
Energy: 1.1413169221585904
Energy: 1.1980356403750956
Energy: 1.151962440696517
Energy: 1.3718173948293255
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Energy: 1.4181645828734315
Energy: 1.3141110454405789
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Energy: 1.1982247595534878
Energy: 1.161349323209222
Energy: 1.3190875741622299
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Energy: 1.2235033438074792
Energy: 1.4627438463352957
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Energy: 1.224230082662746
Energy: 1.176976018390985
Energy: 1.176411068755611
Energy: 1.1680897744926853
Energy: 1.1766421386729409
Energy: 1.1329011638156103
Energy: 1.2434093419534136
Energy: 1.26829518949303
Energy: 1.3130878642916108
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Energy: 1.1706868075272965
Energy: 1.1606886196316806
Energy: 1.1425964349092648
Energy: 1.1674215482025798
Energy: 1.1332338087369034
Energy: 1.1200890967852173
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Energy: 1.2276333641250432
Energy: 1.2541443371608485
Energy: 1.3196937081445352
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Energy: 1.1194211563911696
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Energy: 1.119776521153103
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Energy: 1.4305106520223023
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Energy: 1.120379888711279
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Energy: 1.281440338859462
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Energy: 1.144061878080897
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Energy: 1.153196501673956
Energy: 1.1193404214908051
Energy: 1.3764020997044772
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Energy: 1.2678138825869925
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Energy: 1.457169305532941
Energy: 1.3401900113282392
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Energy: 1.1931558581505208
Energy: 1.1212189052329518
Energy: 1.1194123687253286
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Energy: 1.3713092191701388
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Energy: 1.1942633539073255
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Energy: 1.1454534731203914
Energy: 1.152917969332598
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Energy: 1.3191854230593913
Energy: 1.1614538031664459
Energy: 1.1579961473220983
Energy: 1.2235577349091455
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Energy: 1.3336315335278603
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Energy: 1.1577410478475818
Energy: 1.1668589147568873
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Energy: 1.3579172884429054
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Energy: 1.337154226149865
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Energy: 1.166529174472052
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Energy: 1.2060055222069497
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Energy: 1.2066895298558307
Energy: 1.1497751725012606
Energy: 1.1601661021308252
Energy: 1.320989737295371
Energy: 1.1462531584731268
Energy: 1.162232238232455
Energy: 1.1987138540485056
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Energy: 1.2446830826358561
Energy: 1.2000214424272124
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Energy: 1.319803685947195
Energy: 1.1554520218356972
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Energy: 1.3788023295750524
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Energy: 1.1429209898901633
Energy: 1.1850098500686121
Energy: 1.447170933118371
Energy: 1.3136305623517386
Energy: 1.118602640679376
Energy: 1.1985082756438983
Energy: 1.140861823680369
Energy: 1.4182350343096146
Energy: 1.2061453735419054
Energy: 1.2143593176150829
Energy: 1.18456200197447
Energy: 1.2514755776111595
Energy: 1.3281483980231283
Energy: 1.1682221346949773
Energy: 1.2014671230735658
Energy: 1.1996179447612643
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Energy: 1.3142742171744268
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Energy: 1.2928201125192609
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Energy: 1.3413393736643968
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Energy: 1.1527214598258577
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Energy: 1.19283256854509
Energy: 1.1440052913543073
Energy: 1.1195807967736302
Energy: 1.1463935102248863
Energy: 1.3215704564700241
Energy: 1.1594128523026652
Energy: 1.1642991468433992
Energy: 1.1999295910875987
Energy: 1.1332529207002304
Energy: 1.1931009994724304
Energy: 1.2706866217047275
Energy: 1.374979678131271
Energy: 1.149142235023735
Energy: 1.1593790076864934
Energy: 1.1664435858228752
Energy: 1.1605792144920344
Energy: 1.1497733694426224
Energy: 1.198932276464548
Energy: 1.198590388244567
Energy: 1.1556770746635279
Energy: 1.3604404118454547
Energy: 1.317234615360792
Energy: 1.3413360857723782
Energy: 1.3204535986921422
Energy: 1.1578065311609582
Energy: 1.1606995187120097
Energy: 1.1989910641781274
Energy: 1.1911262893211259
Energy: 1.3292562559484513
Energy: 1.200841672136097
Energy: 1.3604076690033604
Energy: 1.1498369373092234
Energy: 1.312044652295496
Energy: 1.321871049772895
Energy: 1.1571808867434483
Energy: 1.1405563773002418
Energy: 1.198756727554251
Energy: 1.2880913311185047
Energy: 1.2428153221089215
Energy: 1.1429768823456352
Energy: 1.1435086739817228
Energy: 1.312410765129987
Energy: 1.1501620387067537
Energy: 1.2071612419570732
Energy: 1.3656317879777706

minimum gb energy = 1.113942992470531 eV
minimum distance =  2.27631960609456 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 1.1308199170169047
Energy: 1.3768784193466457
Energy: 1.2837023224602893
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Energy: 1.2840206948370987
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Energy: 1.3954551974084004
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Energy: 1.284402394897324
Energy: 1.3779415408975357
Energy: 1.1389673304186871
Energy: 1.1668865338144967
Energy: 1.1398237600932475
Energy: 1.1387798923350243
Energy: 1.1680245212900358
Energy: 1.1699406135304151
Energy: 1.170274639926601
Energy: 1.2981013221826596
Energy: 1.2839510725356915
Energy: 1.395644960887178
Energy: 1.3956483570367553
Energy: 1.3906307409874652
Energy: 1.2853153641008106
Energy: 1.285555060667337
Energy: 1.2852627598717845
Energy: 1.1683617049351909
Energy: 1.2825849615355949
Energy: 1.1710969930441228
Energy: 1.1360652719205304
Energy: 1.1330413328420055
Energy: 1.1318347397500117
Energy: 1.3907164317105274
Energy: 1.389878574452772
Energy: 1.3793941778948182
Energy: 1.389789481842508
Energy: 1.400413710829356
Energy: 1.2836514428703176
Energy: 1.2896994216222146
Energy: 1.2846307462439297
Energy: 1.1327651340990483
Energy: 1.1329232408361665
Energy: 1.137315351291007
Energy: 1.1306505842788765

minimum gb energy = 1.127077991422442 eV
minimum distance =  2.28870491331982 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.3787334574215127
Energy: 1.1766841997077275
Energy: 1.2657214590826706
Energy: 1.207152239755538
Energy: 1.2436413073564982
Energy: 1.3566974360672914
Energy: 1.3556871250258302
Energy: 1.289818794989434
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Energy: 1.2044084244503201
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Energy: 1.309911462471795
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Energy: 1.2894724640615824
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Energy: 1.1844998306208185
Energy: 1.19042406723535
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Energy: 1.1961633348129137
Energy: 1.178992242171513
Energy: 1.2718812311311651
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Energy: 1.2661369963684714
Energy: 1.2879770426467003
Energy: 1.1595212829230197
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Energy: 1.1780086004512822
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Energy: 1.2518861394821321
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Energy: 1.227788207405738
Energy: 1.2072545300922195
Energy: 1.1684289034388131
Energy: 1.2187056951175788
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Energy: 1.2067732429263711
Energy: 1.2183334952121214
Energy: 1.175481839547627
Energy: 1.2204310613404674
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Energy: 1.203965113341465
Energy: 1.2117983674368098
Energy: 1.3031056786159083
Energy: 1.1974755531494516
Energy: 1.1929155902007353
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Energy: 1.1783299591673573
Energy: 1.1854368349999747
Energy: 1.2179628690194089
Energy: 1.190051658559776
Energy: 1.2038505027052846
Energy: 1.3559991328930598
Energy: 1.3704113525175665
Energy: 1.1746404379029682
Energy: 1.1876607646391502
Energy: 1.1789260248711646
Energy: 1.2190220166001338
Energy: 1.1885390291984026
Energy: 1.215708268891178
Energy: 1.2231086211550988
Energy: 1.137799380543837
Energy: 1.1804670749541673
Energy: 1.3190119768884503
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Energy: 1.1448129445796589
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Energy: 1.2194432708582452
Energy: 1.2961301583027152
Energy: 1.3354177850727837
Energy: 1.2563441884217217
Energy: 1.2922636584665899
Energy: 1.1765484587599724

minimum gb energy = 1.1229059881449555 eV
minimum distance =  2.29140964475237 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 2.179972997067787
Energy: 1.114286174117677
Energy: 1.1372813099486236
Energy: 1.133207241327456
Energy: 1.1322265535605276
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Energy: 1.1322351034053448
Energy: 1.2318777218668628
Energy: 1.1781780935699686
Energy: 1.16268829546528
Energy: 1.137043397672933
Energy: 1.1299190724392623
Energy: 1.1463837629595273
Energy: 1.1787719088911146
Energy: 1.1323888187621218
Energy: 1.117593345090707
Energy: 1.1343534194807094
Energy: 1.179564395008575
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Energy: 1.1310339717831404
Energy: 1.2308735804116744
Energy: 1.0954979006477947
Energy: 1.178595144760975
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Energy: 1.1328580437808882
Energy: 1.1203262144343265
Energy: 1.130736759133956
Energy: 1.0955506966395456
Energy: 1.0956984668487717
Energy: 1.1341181186511515
Energy: 1.1456622595001218

minimum gb energy = 1.0954350858807078 eV
minimum distance =  2.31573335325468 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.5293733973370054
Energy: 1.3220229824080032
Energy: 1.351603808205081
Energy: 1.3029466776863377
Energy: 1.3028458711086588
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Energy: 1.3658574603743083
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Energy: 1.3420207156437207
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Energy: 1.298607557865844
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Energy: 1.3529628026960083
Energy: 1.3216760977336761
Energy: 1.3418945501695423
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Energy: 1.3486918331017843
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Energy: 1.343738839324663
Energy: 1.303973228706184
Energy: 1.35033256351359
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minimum gb energy = 1.2945350686117307 eV
minimum distance =  2.27046749301107 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.322082297975595
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Energy: 1.4616467676460616
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Energy: 1.3581163585068585
Energy: 1.3181383289965074
Energy: 1.3498021336295574
Energy: 1.3472427293441616
Energy: 1.347191309996861
Energy: 1.3582595621589135
Energy: 1.3343648837659188
Energy: 1.4521732535156655
Energy: 1.5002635065676933
Energy: 1.3319742870192377
Energy: 1.3500822344775159
Energy: 1.3670136612022274
Energy: 1.3627325185513686
Energy: 1.3676007548658988
Energy: 1.3702508753883538
Energy: 1.3658878301736375
Energy: 1.3930663719314031
Energy: 1.4525195629175978
Energy: 1.4537678536587286
Energy: 1.3075752339678568
Energy: 1.3545732139928326
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Energy: 1.4522904268567858
Energy: 1.3356365330524145
Energy: 1.3349234693995244
Energy: 1.3507277000319293
Energy: 1.3692286719265818
Energy: 1.3699508293613574
Energy: 1.3643668251774423
Energy: 1.3469503129802833
Energy: 1.3653452188016035
Energy: 1.4373759479949657
Energy: 1.3633102735482807
Energy: 1.3325378190740629
Energy: 1.3628797989662107
Energy: 1.3455606343272073
Energy: 1.40016270596011
Energy: 1.4256761386302284
Energy: 1.2906469095472506
Energy: 1.3067258685458039
Energy: 1.3617969267058643
Energy: 1.3636002715133841
Energy: 1.358155880264362
Energy: 1.3388734502819435
Energy: 1.3416951673242978
Energy: 1.3333305203149404
Energy: 1.3348294283110744
Energy: 1.3136778972688512
Energy: 1.2912267565047248
Energy: 1.3328203748556442
Energy: 1.3149104275231491
Energy: 1.3290186483044832
Energy: 1.4373320045209337
Energy: 1.4370162300954064
Energy: 1.5008742447614156
Energy: 1.4025405262167354
Energy: 1.3472549828972409
Energy: 1.3117073966861519
Energy: 1.3144451247566344
Energy: 1.3324823468364337
Energy: 1.3547306019884375
Energy: 1.3449354652694325
Energy: 1.451793272570653
Energy: 1.3803609662131933
Energy: 1.2938930173036614
Energy: 1.3350906570266081
Energy: 1.3391868614000357
Energy: 1.315747139530862
Energy: 1.2963045220317233
Energy: 1.3071168175240553
Energy: 1.3581744710623251
Energy: 1.3347707751468023
Energy: 1.366809761283256
Energy: 1.3322857740908174

minimum gb energy = 1.2876244754112318 eV
minimum distance =  2.26384971645459 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.7115793805244568
Energy: 1.1174175516757732
Energy: 1.2094102074365884
Energy: 1.2098752068751535
Energy: 1.2089225768790484
Energy: 1.3746467970144278
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Energy: 1.20987814161821
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Energy: 1.3286144799033814
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Energy: 1.375214664144375
Energy: 1.2090415286999523
Energy: 1.3362992941864185
Energy: 1.4215418575073928
Energy: 1.2093001142746764
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Energy: 1.3950872706271706
Energy: 1.325168107351406
Energy: 1.3368624313177084
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Energy: 1.2069886385717854
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Energy: 1.3289422962093078
Energy: 1.2081019793958794
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Energy: 1.3362863044744533
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Energy: 1.2087333013773192
Energy: 1.210533952860448
Energy: 1.3299330136571648
Energy: 1.2088682665122836
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Energy: 1.210315772102482
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Energy: 1.396806364323371
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Energy: 1.2100032175291164
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Energy: 1.1182848001998045
Energy: 1.208694971853355
Energy: 1.209962325703496
Energy: 1.2093230563278057
Energy: 1.2095767616912563
Energy: 1.2033892759572242
Energy: 1.208711996142353
Energy: 1.2114263910894534
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Energy: 1.2061820229383369
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Energy: 1.3264380169639334
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Energy: 1.3381830916930577
Energy: 1.2101484289909374
Energy: 1.209193073163985
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Energy: 1.208695179158585
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Energy: 1.394570492304314
Energy: 1.3929705852433836
Energy: 1.206989019599878
Energy: 1.2090622767301689
Energy: 1.1182903250200649
Energy: 1.2092246813706282
Energy: 1.2075955336318531
Energy: 1.1173503084741039
Energy: 1.1180336371343575
Energy: 1.3282030340069113
Energy: 1.4234872555215405
Energy: 1.1898044860908918
Energy: 1.3757852981587837
Energy: 1.2091743263585348
Energy: 1.2076826955634181
Energy: 1.2112463869247811
Energy: 1.3389534347328007
Energy: 1.506422992395857
Energy: 1.1173243666699386
Energy: 1.2059366688966098
Energy: 1.210689756519261
Energy: 1.393272357745715
Energy: 1.2102365948725633
Energy: 1.2090817562202039
Energy: 1.208594722970111
Energy: 1.3373041063360736
Energy: 1.2098032748012528
Energy: 1.2077099990189921
Energy: 1.3943263211088497
Energy: 1.3732452017049168
Energy: 1.2103092349405253
Energy: 1.3917954467507216
Energy: 1.395908405829923
Energy: 1.32750469414271
Energy: 1.208980801916092
Energy: 1.2065196507101974
Energy: 1.2087988688530065
Energy: 1.3251654789000675
Energy: 1.3403982581531304
Energy: 1.208453342732329
Energy: 1.2082292195728843
Energy: 1.211389840429656
Energy: 1.3302117004992762
Energy: 1.2107804890195637
Energy: 1.3404034518666847
Energy: 1.3694955237111275
Energy: 1.2101604864770032
Energy: 1.209872082443046
Energy: 1.2094733197986187
Energy: 1.1178729549469428
Energy: 1.5042964309094635
Energy: 1.2088063832896252
Energy: 1.2101072566701647
Energy: 1.3171409775504839
Energy: 1.208222883349496
Energy: 1.2029240954242468
Energy: 1.2089942532139133
Energy: 1.3746880311074345
Energy: 1.3390870464710438
Energy: 1.11918972109548
Energy: 1.2086599060093521
Energy: 1.3746024864024808
Energy: 1.2089089148764176
Energy: 1.209118287181434
Energy: 1.3913245851727927
Energy: 1.329003227094671
Energy: 1.2094529855182397
Energy: 1.2104589731521436
Energy: 1.2111835132375692
Energy: 1.2074199657917208
Energy: 1.4202736838633163
Energy: 1.119315002090096
Energy: 1.2103592443919726
Energy: 1.4243908167382668
Energy: 1.3938433279396765
Energy: 1.20811163881362
Energy: 1.2052830199589377
Energy: 1.2089239863461123
Energy: 1.3320276030429377
Energy: 1.2095440113417162
Energy: 1.2092299776267659

minimum gb energy = 1.1137891109237958 eV
minimum distance =  2.36332913652401 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.5143484961272753
Energy: 1.2794948838003035
Energy: 1.286853788685806
Energy: 1.3050295365795972
Energy: 1.2739498405466236
Energy: 1.295364206764492
Energy: 1.2692714623109633
Energy: 1.27181001344166
Energy: 1.287184803996885
Energy: 1.2678885600871397
Energy: 1.2974065100289338
Energy: 1.40000108178373
Energy: 1.2995193090752684
Energy: 1.2729483443317202
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Energy: 1.2908213526575638
Energy: 1.263439661722516
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Energy: 1.3405618463537794
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Energy: 1.2910211074944236
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Energy: 1.409351364161432
Energy: 1.268462702399223
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Energy: 1.2909586729653086
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Energy: 1.3890964183566905
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Energy: 1.29475875050735
Energy: 1.3067992619073119
Energy: 1.3180815673012993
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Energy: 1.3355189974194757
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Energy: 1.2906177462858526
Energy: 1.3089919587593557
Energy: 1.3917230515961625
Energy: 1.3987831635680388
Energy: 1.3952935677795861
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Energy: 1.2929012811166418
Energy: 1.360011909334933
Energy: 1.3028584522425013
Energy: 1.2681896444698526
Energy: 1.268945105589104
Energy: 1.3026567922653798
Energy: 1.3929056728157505
Energy: 1.327544414442124
Energy: 1.3919842677062313
Energy: 1.291152088825058
Energy: 1.2720013159211114
Energy: 1.2753133847349098
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Energy: 1.2627253345991196
Energy: 1.2717868277460949
Energy: 1.2900059533160968
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Energy: 1.323922721644568
Energy: 1.2872876408851694
Energy: 1.2885202164360656
Energy: 1.3021893181260888
Energy: 1.2739972020208863
Energy: 1.2907013593932806
Energy: 1.2624272719529794
Energy: 1.2697301434209352
Energy: 1.269843883894857
Energy: 1.3899151541550856
Energy: 1.2787423278694097
Energy: 1.333781920014126
Energy: 1.2989560782499316
Energy: 1.261427789661337
Energy: 1.234622777507921
Energy: 1.2866578417388952
Energy: 1.268306421410189
Energy: 1.2617700924590207
Energy: 1.3278531633893549
Energy: 1.3955595089620052
Energy: 1.4353430041198008
Energy: 1.3728909183008111
Energy: 1.3652673178297638
Energy: 1.2750537012428438
Energy: 1.2906726961027881
Energy: 1.286329477074008
Energy: 1.3425761821559008
Energy: 1.277786798635627
Energy: 1.2812725967349492
Energy: 1.3883766865615221
Energy: 1.2633562453351783
Energy: 1.396337998302319
Energy: 1.3987177801636987
Energy: 1.320782621958382
Energy: 1.3198733439359502
Energy: 1.2900778292183286
Energy: 1.3213769112722218
Energy: 1.3290783684273788
Energy: 1.3489226643822823
Energy: 1.2627484663371757
Energy: 1.2670553709726908
Energy: 1.2895130098294523
Energy: 1.2633770420060448
Energy: 1.2783827794255498
Energy: 1.3023359382850597
Energy: 1.2894291633605612
Energy: 1.3087965168794462
Energy: 1.3108993522648047
Energy: 1.3476789836658618
Energy: 1.3504325915944346
Energy: 1.3213210610274975
Energy: 1.3893208531810841
Energy: 1.3520039156262382
Energy: 1.3877785430843013
Energy: 1.4058360685805087
Energy: 1.2874034677296253
Energy: 1.287743230373484
Energy: 1.397631738051297
Energy: 1.2857163620600947
Energy: 1.3476987425108233
Energy: 1.333357200063192
Energy: 1.2987747646145116
Energy: 1.3495194998743967
Energy: 1.3457853911719226
Energy: 1.3862224881426004
Energy: 1.2866357260266108
Energy: 1.309388943395819
Energy: 1.3083017931806282
Energy: 1.2854267969606514
Energy: 1.2910823160691056
Energy: 1.2397044752586255
Energy: 1.2742554621542201
Energy: 1.2887214386524803
Energy: 1.260383187331403
Energy: 1.2940811196832847
Energy: 1.2943886009953738
Energy: 1.2874372028693675
Energy: 1.397993169977123
Energy: 1.3260220609187408
Energy: 1.384668012782187
Energy: 1.3427147107848283
Energy: 1.3493480727043408
Energy: 1.3586952663632232
Energy: 1.3459143306878332
Energy: 1.284395504235903
Energy: 1.3463109867081005
Energy: 1.309138782641526
Energy: 1.3103820946788516
Energy: 1.2881198148480417
Energy: 1.3187280279026952
Energy: 1.3410512543004482
Energy: 1.3526032132935364
Energy: 1.3449247951077052
Energy: 1.3435923769442175
Energy: 1.3517053867580293
Energy: 1.350888913652796
Energy: 1.3343630588670252
Energy: 1.2790576143987262
Energy: 1.2889318301365384
Energy: 1.3028793692920189
Energy: 1.2782426492200525
Energy: 1.2657578495121982
Energy: 1.3277343349885764
Energy: 1.2626826375171403
Energy: 1.2959783628887416
Energy: 1.2989520550124931
Energy: 1.262744958080011
Energy: 1.2987032871521726
Energy: 1.2878952874595528
Energy: 1.320118031711784
Energy: 1.2701744592671846
Energy: 1.3956350412650194
Energy: 1.413036347707424
Energy: 1.2785616582167167
Energy: 1.2640556342968043
Energy: 1.3281298568833557
Energy: 1.26361538682538
Energy: 1.265402492987944
Energy: 1.3179261915293072
Energy: 1.2916437186317182
Energy: 1.2743645401033623
Energy: 1.3858836434881268
Energy: 1.3515378672385654
Energy: 1.4288592098608124
Energy: 1.3755359288544622
Energy: 1.2993321062694925
Energy: 1.2684124785500859
Energy: 1.2631136854092853
Energy: 1.2911221848643095
Energy: 1.2863140926324326
Energy: 1.2635155261628532
Energy: 1.296964233258741
Energy: 1.3619581580125752
Energy: 1.3423472265325944
Energy: 1.3902870783766248
Energy: 1.2886107218793845
Energy: 1.2688327733490603
Energy: 1.2684500946891062
Energy: 1.333735160997046
Energy: 1.2599072949816685
Energy: 1.3051592687268512
Energy: 1.2451012974657467
Energy: 1.2908730779625273
Energy: 1.2614612394147806
Energy: 1.2652143136794733
Energy: 1.3465463348366136
Energy: 1.295239376660792
Energy: 1.2795614486010747
Energy: 1.3023000803970322
Energy: 1.2757766191427504
Energy: 1.2737477096177359
Energy: 1.2918054221657418
Energy: 1.3906454212561912
Energy: 1.345259808187393
Energy: 1.4283439963213607
Energy: 1.312007875241245
Energy: 1.315482203888929
Energy: 1.2622818344239857
Energy: 1.303978245917584
Energy: 1.361371142671368
Energy: 1.2817620934667884
Energy: 1.2740117200604233
Energy: 1.3970165625745776
Energy: 1.3403827368022425
Energy: 1.3721290853757722
Energy: 1.3564787799318077
Energy: 1.301462778504141
Energy: 1.3629516017050975
Energy: 1.3023321339890919
Energy: 1.3052269445105855
Energy: 1.2912621719108024
Energy: 1.2413564800174948
Energy: 1.4811055677005427
Energy: 1.2933092296738975
Energy: 1.3887678282037426
Energy: 1.328375140965695
Energy: 1.2740285455041573
Energy: 1.272110944057471
Energy: 1.307751251584899
Energy: 1.3060621965681096
Energy: 1.3693239640544512
Energy: 1.3946507225432685
Energy: 1.2741593051318096
Energy: 1.283080752393283
Energy: 1.3233260597418162
Energy: 1.2902220603183492
Energy: 1.3925576199727847
Energy: 1.3910012932203608
Energy: 1.302588253097686
Energy: 1.2712462678001601
Energy: 1.3025634101937065
Energy: 1.3927019869045916
Energy: 1.3911832528334396
Energy: 1.3263097950628702
Energy: 1.4003758628256617
Energy: 1.2807171036007203
Energy: 1.316529875868712
Energy: 1.3891345027143027
Energy: 1.3291450568730419
Energy: 1.264847586980568
Energy: 1.304532869027666
Energy: 1.2936192867131902
Energy: 1.2937169081489488
Energy: 1.3328630732277509
Energy: 1.3560780910165267
Energy: 1.2723540972376302
Energy: 1.2570288712668454
Energy: 1.3639658744885834
Energy: 1.2943697226375275
Energy: 1.326884508352515
Energy: 1.302573393976968
Energy: 1.2691236474885155
Energy: 1.2706081024713392
Energy: 1.4122686173177086
Energy: 1.2730042484756277
Energy: 1.3993608727226405
Energy: 1.3758489467876214
Energy: 1.2739212956494266
Energy: 1.269606570576732
Energy: 1.3598775368835292
Energy: 1.3607787862215106
Energy: 1.3624812467665477
Energy: 1.291225782569822
Energy: 1.3112707432546815
Energy: 1.3916030271667006
Energy: 1.3407735009093142
Energy: 1.391953785051635
Energy: 1.2909608287142171
Energy: 1.2717054101876628
Energy: 1.2751254255343347
Energy: 1.3019401396286545
Energy: 1.2692083733943884
Energy: 1.2693741476185552
Energy: 1.2887633124231845
Energy: 1.352382540031176
Energy: 1.3009886830935153
Energy: 1.310356969277934
Energy: 1.3250595085055257
Energy: 1.2921445865896628
Energy: 1.2734510401127102
Energy: 1.2947563947638856
Energy: 1.2631505079265049
Energy: 1.2796085788663734
Energy: 1.2904414401447644
Energy: 1.270240535632371

minimum gb energy = 1.2316000016385917 eV
minimum distance =  2.28938846222982 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.4455814880383036
Energy: 1.1490939753885068
Energy: 1.1830059610304073
Energy: 1.2520282081241152
Energy: 1.2977033987301867
Energy: 1.2422266394224666
Energy: 1.2785771874850984
Energy: 1.2282458745656335
Energy: 1.181142454785847
Energy: 1.149411620118964
Energy: 1.2341765672834266
Energy: 1.263349253533368
Energy: 1.2951167750523134
Energy: 1.2290025543834744
Energy: 1.220216522173819
Energy: 1.180639189666942
Energy: 1.230585464429347
Energy: 1.2547574427741877
Energy: 1.2196294479178424
Energy: 1.2696667911138817
Energy: 1.413270960439331
Energy: 1.250902788656765
Energy: 1.3954628788361039
Energy: 1.4182754500305692
Energy: 1.2304631023816914
Energy: 1.2251293922085271
Energy: 1.229582998853364
Energy: 1.2266232063929217
Energy: 1.2533782052085212
Energy: 1.2940442150835034
Energy: 1.2972438689060488
Energy: 1.2196201017934094
Energy: 1.2144301294100213
Energy: 1.221004042142233
Energy: 1.2517823990372556
Energy: 1.224986585533899
Energy: 1.1807861739436485
Energy: 1.181126425219638
Energy: 1.150661034712245
Energy: 1.1995184719016256
Energy: 1.2656750166963526
Energy: 1.2223950492739741
Energy: 1.1734102485939049
Energy: 1.2209750624003641
Energy: 1.1761527750406677
Energy: 1.1809657570848815
Energy: 1.299024224201309
Energy: 1.293477647587566
Energy: 1.4035683406491604
Energy: 1.2646386010429025
Energy: 1.2536481531273325
Energy: 1.2642743121188262
Energy: 1.252355099990861
Energy: 1.4020239154251006
Energy: 1.2298479123819608
Energy: 1.225546751375037
Energy: 1.227147497605509
Energy: 1.2270142088963225
Energy: 1.4125055561351996
Energy: 1.2494746681701494
Energy: 1.445455413588009
Energy: 1.2228684201009075
Energy: 1.2643858741144995
Energy: 1.2527458700076772
Energy: 1.268875093638425
Energy: 1.2265968058860504
Energy: 1.1796086837985704
Energy: 1.2293532870884216
Energy: 1.2974088743499326
Energy: 1.218474371488431
Energy: 1.2400457788578576
Energy: 1.181709588516958
Energy: 1.2230020178892396
Energy: 1.1787401703887823
Energy: 1.1844258028524948
Energy: 1.1823942184962728
Energy: 1.2267543177057283
Energy: 1.2275491186485434
Energy: 1.1836685575642505
Energy: 1.1795388721432967
Energy: 1.414318095477147
Energy: 1.255589557420397
Energy: 1.2258685046063262
Energy: 1.400643093334934
Energy: 1.222345809344344
Energy: 1.180881255024839
Energy: 1.2545935592924706
Energy: 1.2321452452232582
Energy: 1.252646556863048
Energy: 1.2649794969634613
Energy: 1.2278512365694143
Energy: 1.2535309050637344
Energy: 1.4004084930370813
Energy: 1.2552143157271232
Energy: 1.218092065063438
Energy: 1.2552064631461668
Energy: 1.1815770799637573
Energy: 1.1817351140570636
Energy: 1.150122233138339
Energy: 1.183517575247393
Energy: 1.2216816128826018
Energy: 1.1747722165216095
Energy: 1.2228723408245739
Energy: 1.1816663612611742
Energy: 1.2270575015353649
Energy: 1.2252389286460907
Energy: 1.182906890590843
Energy: 1.2967272129025706
Energy: 1.150494508649253
Energy: 1.1789595806450202
Energy: 1.2650791203595444
Energy: 1.297080530873953
Energy: 1.2694111067015732
Energy: 1.295618489297318
Energy: 1.2993430676848763
Energy: 1.18067593787467
Energy: 1.2287577428989238
Energy: 1.2302242585345748
Energy: 1.4159687103591678
Energy: 1.2579959519668749
Energy: 1.2517686653977296
Energy: 1.395426702123108
Energy: 1.2542428506016137
Energy: 1.4114857393446185
Energy: 1.296904093244996
Energy: 1.2235630973452145
Energy: 1.2277417676506803
Energy: 1.2267456527431218
Energy: 1.227658748300034
Energy: 1.2585979237480152
Energy: 1.2370694911881386
Energy: 1.1818895976046768
Energy: 1.2220025965226808
Energy: 1.2557905446552566
Energy: 1.230307305572844
Energy: 1.1819413353165769
Energy: 1.2942069057197492
Energy: 1.1844270608972223
Energy: 1.1823969796884506
Energy: 1.1497987387958253

minimum gb energy = 1.1490939753885068 eV
minimum distance =  2.29393552676336 Angstroms
sigma value = 33