Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.523999765515327 cohesive_energy=4.440349234879022 mass=58.6934 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.020445891233342714 Energy: 0.5149609119533395 Energy: 0.5149609119533395 Energy: 0.020445891233342714 Energy: 0.5149609119533395 Energy: 0.5149609119533395 Energy: 0.020445891233342714 Energy: 0.5149609119533395 Energy: 0.5149609119533395 Energy: 0.020445891233342714 Energy: 0.5119840886237984 Energy: 0.02410405946478694 Energy: 0.5120275176403113 Energy: 0.5119840886237984 Energy: 0.02410405946478694 Energy: 0.5120275176403113 Energy: 0.5119840886237984 Energy: 0.02410405946478694 Energy: 0.5120275176403113 Energy: 0.5119840886237984 Energy: 0.9271176037160692 Energy: 0.3127869026781472 Energy: 0.3127869026781472 Energy: 0.9271262015647767 Energy: 0.3127869026781472 Energy: 0.3127869026781472 Energy: 0.9271212092799055 Energy: 0.8740477427897311 Energy: 0.31278690267966835 Energy: 0.9271183055789916 Energy: 0.5119840886237984 Energy: 0.5120275176387902 Energy: 0.02410405946478694 Energy: 0.5119840886237984 Energy: 0.5120275176403113 Energy: 0.02410405946478694 Energy: 0.5119840886237984 Energy: 0.5120275176387902 Energy: 0.02410405946478694 Energy: 0.5119840886237984 Energy: 0.020445891233342714 Energy: 0.5149609119533395 Energy: 0.5149609119533395 Energy: 0.020445891233342714 Energy: 0.5149609119533395 Energy: 0.5149609119533395 Energy: 0.020445891233342714 Energy: 0.5149609119533395 Energy: 0.5149609119533395 Energy: 0.020445891233342714 Energy: 0.5119840886253194 Energy: 0.02410405946478694 Energy: 0.5120275176403113 Energy: 0.5119840886237984 Energy: 0.02410405946478694 Energy: 0.5120275176403113 Energy: 0.5119840886237984 Energy: 0.02410405946478694 Energy: 0.5120275176403113 Energy: 0.5119840886237984 Energy: 0.9271268085072509 Energy: 0.3127869026781472 Energy: 0.3127869026781472 Energy: 0.9271235087508299 Energy: 0.3127869026781472 Energy: 0.3127869026781472 Energy: 0.927122582008209 Energy: 0.3127869026781472 Energy: 0.3127869026781472 Energy: 0.9271195661053988 minimum gb energy = 0.020445891233342714 eV minimum distance = 2.29911811698743 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.1927603177491313 Energy: 1.3995487407823415 Energy: 1.3998908781800008 Energy: 1.1165831482760145 Energy: 1.3995487407823415 Energy: 1.3998908781800008 Energy: 1.1927603177491313 Energy: 1.3995487407823415 Energy: 1.3998908781651647 Energy: 1.1165831482760145 Energy: 1.1862044594973122 Energy: 1.133330328127709 Energy: 1.3887454849215042 Energy: 1.1862044594973122 Energy: 1.133330328127709 Energy: 1.3887454849215042 Energy: 1.1862044594973122 Energy: 1.133330328127709 Energy: 1.3887454849215042 Energy: 1.1862044594973122 Energy: 1.1740270452355261 Energy: 1.3310603398339618 Energy: 1.3525463157052027 Energy: 1.1809500610853367 Energy: 1.3310603398414138 Energy: 1.3525463127853128 Energy: 1.1740270452243482 Energy: 1.331060339837688 Energy: 1.3525463129603668 Energy: 1.1809500610853367 Energy: 1.4016186543508988 Energy: 1.44211288199821 Energy: 1.0428308391040229 Energy: 1.4016186543508988 Energy: 1.44211288199821 Energy: 1.042830839107749 Energy: 1.401618654354625 Energy: 1.44211288199821 Energy: 1.0428308391040229 Energy: 1.4016186543508988 Energy: 0.9876108287442783 Energy: 1.3587675592722976 Energy: 1.3529189354748261 Energy: 0.9876108287442783 Energy: 1.356778084609459 Energy: 1.3604747395585397 Energy: 0.9876108287442783 Energy: 1.3587675592722976 Energy: 1.3529189354748261 Energy: 0.9876108287442783 Energy: 1.409492733296256 Energy: 1.0510722403618484 Energy: 1.3820251567750403 Energy: 1.409492733296256 Energy: 1.0510722403618484 Energy: 1.3820251567750403 Energy: 1.409492733296256 Energy: 1.0510722403618484 Energy: 1.3820251567750403 Energy: 1.409492733296256 Energy: 1.4720247862794198 Energy: 1.042519983282122 Energy: 1.410434253482798 Energy: 1.4720247862794198 Energy: 1.0425199832783958 Energy: 1.410434253482798 Energy: 1.4720247862794198 Energy: 1.0425199832783958 Energy: 1.410434253479072 Energy: 1.4720247862794198 Energy: 1.3613347941908487 Energy: 1.3614817495727567 Energy: 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1.3995487407823415 Energy: 1.399890878183727 Energy: 1.1200131166999723 Energy: 1.186204459493586 Energy: 1.1333303281314349 Energy: 1.3887454849215042 Energy: 1.186204459493586 Energy: 1.1333303281314349 Energy: 1.3887454849215042 Energy: 1.1862044594973122 Energy: 1.1333303281314349 Energy: 1.3887454849215042 Energy: 1.1862044594973122 Energy: 1.1960568553443542 Energy: 1.3310603398339618 Energy: 1.3525463129715447 Energy: 1.1245832021390414 Energy: 1.3310603398414138 Energy: 1.352546309656903 Energy: 1.1960568553443542 Energy: 1.331060339837688 Energy: 1.3525463105917204 Energy: 1.1245831954277863 Energy: 1.4016186543508988 Energy: 1.44211288199821 Energy: 1.042830839107749 Energy: 1.4016186543508988 Energy: 1.44211288199821 Energy: 1.042830839107749 Energy: 1.4016186543508988 Energy: 1.44211288199821 Energy: 1.042830839107749 Energy: 1.4016186543508988 minimum gb energy = 0.9876108287442783 eV minimum distance = 2.30149246146462 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.433500862399832 Energy: 1.0825777124348364 Energy: 1.0826734829040274 Energy: 1.3992612515548968 Energy: 1.0825777124348364 Energy: 1.0826734829040274 Energy: 1.433500862399832 Energy: 1.0825777124348364 Energy: 1.0826734829040274 Energy: 1.3992612515548968 Energy: 1.0829190471329402 Energy: 1.1524238532695277 Energy: 1.320435030262459 Energy: 1.0829190471329402 Energy: 1.1524238532695277 Energy: 1.320435030260641 Energy: 1.082919047131122 Energy: 1.1524238532695277 Energy: 1.320435030260641 Energy: 1.082919047131122 Energy: 1.1753087397740727 Energy: 1.1617424919955246 Energy: 1.0853162052253498 Energy: 1.175932385278478 Energy: 1.1617424919937065 Energy: 1.0853162052253498 Energy: 1.1753087397740727 Energy: 1.1617424919937065 Energy: 1.0853162052253498 Energy: 1.175932385278478 Energy: 1.3233073402881679 Energy: 1.3281329193244202 Energy: 1.0853498364439216 Energy: 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Energy: 1.3447038384389653 Energy: 1.2547467623656696 Energy: 1.3311236171660115 Energy: 1.3447038384389653 Energy: 1.2547467623656696 Energy: 1.3311236171660115 Energy: 1.2517192977578822 Energy: 1.4086844895886643 Energy: 1.2808588640168168 Energy: 1.2517192977578822 Energy: 1.4088545435667335 Energy: 1.2808588640147653 Energy: 1.2517192977578822 Energy: 1.4086844895907153 Energy: 1.2808588640147653 Energy: 1.2517192977578822 Energy: 1.3777227032645165 Energy: 1.252940304291523 Energy: 1.3476872674487286 Energy: 1.3862884009331766 Energy: 1.253176665315056 Energy: 1.3476872674487286 Energy: 1.3862884009331766 Energy: 1.252940304291523 Energy: 1.3476872674466776 Energy: 1.3862884009352279 Energy: 1.3613082767035836 Energy: 1.2520958480184492 Energy: 1.4000421754856525 Energy: 1.3613082767055973 Energy: 1.2521068427047648 Energy: 1.4000421754856525 Energy: 1.3613082767055973 Energy: 1.2520958480184492 Energy: 1.4000421754856525 Energy: 1.3613082767055973 minimum gb energy = 1.2054102350455609 eV minimum distance = 2.27151312659784 Angstroms sigma value = 165 ======================================== theta = 44.41530859719298 ======================================== Energy: 1.188493502561278 Energy: 1.288948286087918 Energy: 1.2886538842078816 Energy: 1.1884935025626862 Energy: 1.2889482860851014 Energy: 1.288653884208586 Energy: 1.1884935025619818 Energy: 1.2889482860858055 Energy: 1.2886538842064734 Energy: 1.1884935025626862 Energy: 1.188377181342385 Energy: 1.2045380006829713 Energy: 1.2517877245585773 Energy: 1.188377181342385 Energy: 1.2045380006822672 Energy: 1.2517877245578732 Energy: 1.188377181342385 Energy: 1.2045380006829713 Energy: 1.2517877245585773 Energy: 1.188377181343089 Energy: 1.2650167055470694 Energy: 1.3442870868148125 Energy: 1.1513989486033522 Energy: 1.2650167055442527 Energy: 1.3442870868176293 Energy: 1.1513989486005354 Energy: 1.265016705546365 Energy: 1.344287086806363 Energy: 1.1513989485977187 Energy: 1.2650167055456611 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Energy: 1.1786336292598634 Energy: 1.1272011083589943 Energy: 1.230243391681283 Energy: 1.0701646289240914 Energy: 1.169166580761784 Energy: 1.230243391681283 Energy: 1.0701646289240914 Energy: 1.169166580761784 Energy: 1.230243391681283 Energy: 1.0701646289240914 Energy: 1.169166580761784 Energy: 1.230243391681283 Energy: 1.2227654643144945 Energy: 1.2140478195912197 Energy: 1.3937963284566222 Energy: 1.2227654643144945 Energy: 1.2140478195912197 Energy: 1.2844605669954925 Energy: 1.2227654643144945 Energy: 1.2140478195912197 Energy: 1.3937963284566222 Energy: 1.2227654643144945 Energy: 1.081746508119363 Energy: 1.1537157255686172 Energy: 1.207366090022003 Energy: 1.081746508119363 Energy: 1.2496118618547092 Energy: 1.1352161047711664 Energy: 1.081746508119363 Energy: 1.1537157255686172 Energy: 1.207366090022003 Energy: 1.081746508119363 Energy: 1.0671819498739032 Energy: 1.1465693906032388 Energy: 1.1457942114299797 Energy: 1.0671819498711712 Energy: 1.1463936591322212 Energy: 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2.21765132233261 Angstroms sigma value = 185 ======================================== theta = 62.96430821058772 ======================================== Energy: 0.7765342128205434 Energy: 0.6431073179231681 Energy: 0.6431757914906938 Energy: 0.4799137755774561 Energy: 0.643107317921576 Energy: 0.6431757914910476 Energy: 0.7765342128218405 Energy: 0.6431073179228732 Energy: 0.6431757914900452 Energy: 0.4799137755774561 Energy: 0.731328953853748 Energy: 0.6306476778628559 Energy: 0.7174850484031284 Energy: 0.6227496737681596 Energy: 0.6306476778618535 Energy: 0.6928399355106137 Energy: 0.7313289538543966 Energy: 0.6306476778618535 Energy: 0.7174850484015364 Energy: 0.622749673767511 Energy: 0.6303927804563111 Energy: 0.6827344367828965 Energy: 0.5700615699137599 Energy: 0.5315903844393803 Energy: 0.6827344367845475 Energy: 0.6052491948568601 Energy: 0.6303927804563111 Energy: 0.6827344367822479 Energy: 0.5700615699114603 Energy: 0.5315903844370806 Energy: 0.7940635176452407 Energy: 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0.7535454721035947 Energy: 0.6315869100001582 Energy: 0.6366200352161866 minimum gb energy = 0.47991377557680753 eV minimum distance = 2.33988470729694 Angstroms sigma value = 33 ======================================== theta = 69.97282751604145 ======================================== Energy: 1.1032269933530792 Energy: 1.0699912850825057 Energy: 1.0709750138926244 Energy: 1.079159998816908 Energy: 1.0699912850825057 Energy: 1.0709750138926244 Energy: 1.1032269933548595 Energy: 1.0699912850825057 Energy: 1.0709750138926244 Energy: 1.079159998816908 Energy: 1.1159421007632409 Energy: 1.0211481983098465 Energy: 1.0951425404162172 Energy: 1.1159421007650212 Energy: 1.0211481983098465 Energy: 1.0951425404179975 Energy: 1.1159421007650212 Energy: 1.0211481983098465 Energy: 1.0951425404162172 Energy: 1.1159421007650212 Energy: 1.0692017713834292 Energy: 0.9962036907316117 Energy: 1.075625020212279 Energy: 1.0692017713834292 Energy: 0.9962036907316117 Energy: 1.075625020212279 Energy: 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1.4355711772975703 Energy: 1.3813219532594048 Energy: 1.5299594764797377 Energy: 1.455731817884587 Energy: 1.3813219532571923 Energy: 1.5299594764818714 Energy: 1.455731817884587 Energy: 1.3813219532571923 Energy: 1.5299594764818714 Energy: 1.4557318178867205 Energy: 1.3813219532594048 Energy: 1.4764877185160061 Energy: 1.4005580280014693 Energy: 1.4023018113435002 Energy: 1.4764877185160061 Energy: 1.400558027999336 Energy: 1.4023018113456338 Energy: 1.4764877185160061 Energy: 1.400558027999336 Energy: 1.4023018113435002 Energy: 1.4764877185160061 minimum gb energy = 1.3696831768219222 eV minimum distance = 2.2038751660596 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.4075024370362714 Energy: 1.4184633514895548 Energy: 1.4347290997210707 Energy: 1.398914823216829 Energy: 1.4184633514895548 Energy: 1.4347290997210707 Energy: 1.4075024370336102 Energy: 1.4184633514895548 Energy: 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Energy: 1.34972953897717 Energy: 1.4404587473567678 Energy: 1.4597109626654599 Energy: 1.3874800919438113 Energy: 1.3586203559721528 Energy: 1.3890967373359246 Energy: 1.3874800919464727 Energy: 1.3586173132662163 Energy: 1.3890967373359246 Energy: 1.3874800919464727 Energy: 1.3586203559721528 Energy: 1.3890967373359246 Energy: 1.3874800919464727 Energy: 1.4542623288613097 Energy: 1.3587246994005027 Energy: 1.5358851773602498 Energy: 1.4542623288613097 Energy: 1.3587279692803518 Energy: 1.5358851773602498 Energy: 1.4542623288613097 Energy: 1.3587246994005027 Energy: 1.5358851773602498 Energy: 1.4542623288613097 Energy: 1.4494211657465654 Energy: 1.3596114419570853 Energy: 1.4078440339990492 Energy: 1.4494211657465654 Energy: 1.3596114419570853 Energy: 1.4078440339990492 Energy: 1.4494211657465654 Energy: 1.3596114419570853 Energy: 1.4078440339990492 Energy: 1.4494211657465654 Energy: 1.3504641295901123 Energy: 1.5009857290186701 Energy: 1.4590883100347898 Energy: 1.3504641295901123 Energy: 1.5009857290186701 Energy: 1.459093250346176 Energy: 1.3504641295901123 Energy: 1.5009857290213315 Energy: 1.4590883100321281 Energy: 1.3504641295901123 Energy: 1.3510743211123366 Energy: 1.3499161433048918 Energy: 1.4326535110658427 Energy: 1.3510743211123366 Energy: 1.3499161433022304 Energy: 1.4326535110658427 Energy: 1.351074321114998 Energy: 1.3499161433048918 Energy: 1.4326535110658427 Energy: 1.351074321114998 Energy: 1.5287154115517543 Energy: 1.4182326176847204 Energy: 1.418165262019908 Energy: 1.5287154115544155 Energy: 1.4182326176873818 Energy: 1.4181652620225695 Energy: 1.5287154115544155 Energy: 1.4182326176873818 Energy: 1.4181652620225695 Energy: 1.5287154115544155 Energy: 1.3515599591434215 Energy: 1.432286143835769 Energy: 1.3755427030440932 Energy: 1.3515599591434215 Energy: 1.432286143835769 Energy: 1.3755427030440932 Energy: 1.3515599591434215 Energy: 1.432286143835769 Energy: 1.3755427030440932 Energy: 1.3515599591434215 Energy: 1.3490607554391987 Energy: 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1.3585581337522274 Energy: 1.3797084279880918 Energy: 1.4714678848632379 Energy: 1.4682152732880382 Energy: 1.3496742145374967 Energy: 1.4576894228915376 Energy: 1.4682152732880382 Energy: 1.349674214534835 Energy: 1.4714678848605764 Energy: 1.4682152732880382 Energy: 1.349674214534835 Energy: 1.457689422894199 Energy: 1.4075024370362714 Energy: 1.4184633514895548 Energy: 1.4347290997210707 Energy: 1.398914823216829 Energy: 1.4184633514922165 Energy: 1.4347290997210707 Energy: 1.4075024370362714 Energy: 1.4184633514922165 Energy: 1.4347290997210707 Energy: 1.398914823216829 Energy: 1.4597109626654599 Energy: 1.3497295389798312 Energy: 1.4404587473567678 Energy: 1.4597109626654599 Energy: 1.3497295389798312 Energy: 1.4404587473567678 Energy: 1.4597109626654599 Energy: 1.34972953897717 Energy: 1.4404587473567678 Energy: 1.4597109626627987 Energy: 1.3874800919464727 Energy: 1.3584821758219552 Energy: 1.3890967373359246 Energy: 1.3874800919464727 Energy: 1.3584994960228778 Energy: 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1.4326535110658427 Energy: 1.351074321114998 Energy: 1.3499161433022304 Energy: 1.4326535110658427 Energy: 1.351074321114998 Energy: 1.3499161433048918 Energy: 1.4326535110658427 Energy: 1.351074321114998 Energy: 1.5287154115517543 Energy: 1.4182326176873818 Energy: 1.418165262019908 Energy: 1.5287154115544155 Energy: 1.4182326176873818 Energy: 1.418165262019908 Energy: 1.5287154115544155 Energy: 1.4182326176873818 Energy: 1.4181652620225695 Energy: 1.5287154115517543 Energy: 1.3515599591434215 Energy: 1.432286143835769 Energy: 1.3755427030440932 Energy: 1.3515599591460832 Energy: 1.432286143835769 Energy: 1.3755427030440932 Energy: 1.3515599591434215 Energy: 1.432286143835769 Energy: 1.3755427030440932 Energy: 1.3515599591434215 Energy: 1.3490607554418599 Energy: 1.4571381856767134 Energy: 1.5138303059836145 Energy: 1.3490607554418599 Energy: 1.4571381856767134 Energy: 1.5138303059836145 Energy: 1.3490607554418599 Energy: 1.4571381856767134 Energy: 1.5138303059836145 Energy: 1.3490607554391987 Energy: 1.4493479350629448 Energy: 1.404973050899427 Energy: 1.365164308284738 Energy: 1.4493479350629448 Energy: 1.4049730509020881 Energy: 1.3651256019154066 Energy: 1.4493479350629448 Energy: 1.404973050899427 Energy: 1.365164308284738 Energy: 1.4493479350629448 Energy: 1.45761525976072 Energy: 1.5568579928401407 Energy: 1.3587345922737044 Energy: 1.45761525976072 Energy: 1.5568579928401407 Energy: 1.3587345922737044 Energy: 1.45761525976072 Energy: 1.5568579928401407 Energy: 1.3587345922737044 Energy: 1.45761525976072 minimum gb energy = 1.3490607554391987 eV minimum distance = 2.22302051689601 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.3786638933435422 Energy: 1.3807175009246382 Energy: 1.380711858704282 Energy: 1.3786638933435422 Energy: 1.3807175009246382 Energy: 1.380711858703801 Energy: 1.3786638933440232 Energy: 1.3807175009241572 Energy: 1.380711858704282 Energy: 1.3786638933440232 Energy: 1.377093080312177 Energy: 1.3791857598462816 Energy: 1.3800091804733077 Energy: 1.377093080312177 Energy: 1.3791857598462816 Energy: 1.3800091804733077 Energy: 1.3770930803116959 Energy: 1.3791857598462816 Energy: 1.380009180475232 Energy: 1.377093080312658 Energy: 1.37852271372908 Energy: 1.3794506909924924 Energy: 1.4802221308817916 Energy: 1.378522713727156 Energy: 1.3794506909924924 Energy: 1.4802221308591834 Energy: 1.378522713728118 Energy: 1.3794506909924924 Energy: 1.4802221308572594 Energy: 1.378522713727156 Energy: 1.4802625854187959 Energy: 1.3794270020602248 Energy: 1.3785457018353575 Energy: 1.4802625854466516 Energy: 1.3794270020602248 Energy: 1.3785457018358385 Energy: 1.4802625854639684 Energy: 1.3794270020602248 Energy: 1.3785457018353575 Energy: 1.4802625854625253 Energy: 1.3799678595007019 Energy: 1.379199403382754 Energy: 1.3770297247007595 Energy: 1.379967859501183 Energy: 1.379199403383235 Energy: 1.3770297246983543 Energy: 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1.379199403381792 Energy: 1.3770297247002783 Energy: 1.3799678595002207 Energy: 1.379199403382273 Energy: 1.3770297246993164 Energy: 1.3799678595007019 Energy: 1.3807175009246382 Energy: 1.3807118587033202 Energy: 1.3786638933430613 Energy: 1.3807175009241572 Energy: 1.3807118587033202 Energy: 1.3786638933430613 Energy: 1.3807175009241572 Energy: 1.3807118587033202 Energy: 1.3786638933435422 Energy: 1.3807175009241572 Energy: 1.3791857598458004 Energy: 1.3800091804713837 Energy: 1.3770930803141008 Energy: 1.3791857598467625 Energy: 1.3800091804737888 Energy: 1.377093080312177 Energy: 1.3791857598462816 Energy: 1.3800091804704215 Energy: 1.377093080310734 Energy: 1.3791857598467625 minimum gb energy = 1.3770297246973924 eV minimum distance = 2.28266203598734 Angstroms sigma value = 15 ======================================== theta = 110.02717248395858 ======================================== Energy: 1.425811006700792 Energy: 1.4569627148908302 Energy: 1.4578757785767316 Energy: 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1.564220630953642 Energy: 1.434146533610574 Energy: 1.3264393234718186 Energy: 1.564220630953642 Energy: 1.434146533610574 Energy: 1.3264393234718186 Energy: 1.564220630953642 Energy: 1.50664976961088 Energy: 1.5157075906489839 Energy: 1.4501332452548228 Energy: 1.50664976961088 Energy: 1.5157075906489839 Energy: 1.4501332452548228 Energy: 1.50664976961088 Energy: 1.5157075906489839 Energy: 1.4501332452548228 Energy: 1.50664976961088 Energy: 1.5372098826193408 Energy: 1.4311551460988776 Energy: 1.3117678951252976 Energy: 1.5372098826193408 Energy: 1.4311551460988776 Energy: 1.3117678951252976 Energy: 1.5372098826193408 Energy: 1.4311551460988776 Energy: 1.3117678951231173 Energy: 1.5372098826193408 Energy: 1.3607190474465605 Energy: 1.443512907490214 Energy: 1.4364116384375942 Energy: 1.360719047448741 Energy: 1.443512907490214 Energy: 1.4364116384375942 Energy: 1.360719047448741 Energy: 1.443512907490214 Energy: 1.4364116384375942 Energy: 1.360719047448741 Energy: 1.5076035495874702 Energy: 1.3895394614497447 Energy: 1.3875169482225587 Energy: 1.5076035495874702 Energy: 1.3892567988128122 Energy: 1.387639834119732 Energy: 1.5076035495874702 Energy: 1.3895394614497447 Energy: 1.3875169482225587 Energy: 1.5076035495874702 Energy: 1.3892792712952446 Energy: 1.3111010404442454 Energy: 1.4550555209772127 Energy: 1.3892792712974251 Energy: 1.3111010404442454 Energy: 1.4550555209772127 Energy: 1.3892792712974251 Energy: 1.3111010404442454 Energy: 1.4550555209772127 Energy: 1.3892792712974251 Energy: 1.40595481750791 Energy: 1.482371456722109 Energy: 1.4062574848372562 Energy: 1.40595481750791 Energy: 1.482371456704665 Energy: 1.4062574848372562 Energy: 1.40595481750791 Energy: 1.4823714567155672 Energy: 1.4062574848372562 Energy: 1.40595481750791 Energy: 1.3598938485219298 Energy: 1.3247917598437506 Energy: 1.4005715916092358 Energy: 1.3598938485262906 Energy: 1.324772694244803 Energy: 1.4005715911667984 Energy: 1.3598938485306515 Energy: 1.3247917598437506 Energy: 1.400571591700776 Energy: 1.3598938485262906 Energy: 1.3670901615422069 Energy: 1.3509827716477723 Energy: 1.5067360680690496 Energy: 1.3670901615422069 Energy: 1.3509827716477723 Energy: 1.5067360680690496 Energy: 1.3670901615422069 Energy: 1.3509827716477723 Energy: 1.5067360680690496 Energy: 1.3670901615422069 Energy: 1.3513658719198434 Energy: 1.3862782688184643 Energy: 1.351214935756614 Energy: 1.3513658719198434 Energy: 1.3862782688184643 Energy: 1.351185551661497 Energy: 1.3513658719198434 Energy: 1.3862782688184643 Energy: 1.351214935756614 Energy: 1.3513658719198434 Energy: 1.3124876091933537 Energy: 1.386031475860804 Energy: 1.3501907710556071 Energy: 1.3124876091911732 Energy: 1.386031475860804 Energy: 1.3501907710556071 Energy: 1.3124876091933537 Energy: 1.386031475860804 Energy: 1.3501907710556071 Energy: 1.3124876091933537 Energy: 1.4031290647033385 Energy: 1.500296343035389 Energy: 1.5087191334742678 Energy: 1.3589019250884384 Energy: 1.500296343035389 Energy: 1.5087191334742678 Energy: 1.4031290647033385 Energy: 1.500296343035389 Energy: 1.5087191334742678 Energy: 1.3589019250884384 minimum gb energy = 1.3069499582557826 eV minimum distance = 2.22183675062056 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.292372019230681 Energy: 1.309277528601063 Energy: 1.3091898448357264 Energy: 1.2923720192314754 Energy: 1.309277528601063 Energy: 1.3091898448365207 Energy: 1.292372019230681 Energy: 1.3092775286018574 Energy: 1.3091898448357264 Energy: 1.292372019230681 Energy: 1.43676804431518 Energy: 1.253678375971484 Energy: 1.2776869079583304 Energy: 1.4367680441802069 Energy: 1.253678375971484 Energy: 1.2776869079567417 Energy: 1.436768044308825 Energy: 1.253678375971484 Energy: 1.2776869079575361 Energy: 1.4367680442992925 Energy: 1.411069919744135 Energy: 1.2413042802742715 Energy: 1.3734462504184257 Energy: 1.4110699197425463 Energy: 1.2413042802742715 Energy: 1.3733904820980736 Energy: 1.4110699197425463 Energy: 1.2413042802734773 Energy: 1.373041171741805 Energy: 1.4110699197433407 Energy: 1.3941378166022314 Energy: 1.4202889797465161 Energy: 1.318177067497455 Energy: 1.3941378166022314 Energy: 1.4202889797473106 Energy: 1.3181770674966604 Energy: 1.3941378166022314 Energy: 1.420288979748105 Energy: 1.318177067497455 Energy: 1.3941378166014369 Energy: 1.317247811088786 Energy: 1.2721693235164004 Energy: 1.4887844469053095 Energy: 1.3172478110895802 Energy: 1.272169323517195 Energy: 1.4887844469053095 Energy: 1.317247811088786 Energy: 1.2721693235164004 Energy: 1.4887844469068983 Energy: 1.317247811088786 Energy: 1.3169213480434645 Energy: 1.4519314524979874 Energy: 1.2536667846475573 Energy: 1.31692134804267 Energy: 1.4519314524987819 Energy: 1.2536667846483516 Energy: 1.31692134804267 Energy: 1.4519314524979874 Energy: 1.2536667846475573 Energy: 1.31692134804267 Energy: 1.3225171021925142 Energy: 1.2929150727966987 Energy: 1.2413434803462182 Energy: 1.3225171021917197 Energy: 1.2929150727974932 Energy: 1.2413434803462182 Energy: 1.3225171021917197 Energy: 1.2929150727966987 Energy: 1.2413434803462182 Energy: 1.3225171021933084 Energy: 1.295537055053545 Energy: 1.484984262849945 Energy: 1.3856082706307238 Energy: 1.2955370550567227 Energy: 1.4849842628507393 Energy: 1.3856082706307238 Energy: 1.295537055055134 Energy: 1.4849842628507393 Energy: 1.3856082706307238 Energy: 1.2955370550559282 Energy: 1.5640108854361023 Energy: 1.2725355080057632 Energy: 1.2723352040512073 Energy: 1.5640108854345136 Energy: 1.2725355080065575 Energy: 1.2723352040520017 Energy: 1.5640108854337194 Energy: 1.2725355080057632 Energy: 1.2723352040512073 Energy: 1.5640108854345136 Energy: 1.3934276905855612 Energy: 1.3130700134642428 Energy: 1.395268742317343 Energy: 1.3934276905839724 Energy: 1.313070013462654 Energy: 1.3952687423165486 Energy: 1.3934276905855612 Energy: 1.3130700134602706 Energy: 1.395268742317343 Energy: 1.3934276905831782 Energy: 1.364463175329097 Energy: 1.3644961121619084 Energy: 1.2941629074288132 Energy: 1.364463175328375 Energy: 1.3644961121619084 Energy: 1.294162907428019 Energy: 1.364463175328375 Energy: 1.3644961121619084 Energy: 1.2941629074288132 Energy: 1.364463175329097 Energy: 1.3131703237646246 Energy: 1.254163065900159 Energy: 1.2785203659977302 Energy: 1.3131703237662133 Energy: 1.2541630658993648 Energy: 1.2785203659977302 Energy: 1.3131703237662133 Energy: 1.254163065900159 Energy: 1.2785203659977302 Energy: 1.313170323765419 Energy: 1.271812305150141 Energy: 1.3508558508282142 Energy: 1.2718744936078243 Energy: 1.2718123051509356 Energy: 1.3508558508274198 Energy: 1.2718744936086186 Energy: 1.271812305150141 Energy: 1.3508558508290087 Energy: 1.2718744936078243 Energy: 1.2718123051509356 Energy: 1.279942126021745 Energy: 1.2575194425870972 Energy: 1.3140464412881447 Energy: 1.279942126021745 Energy: 1.2575194425870972 Energy: 1.3140464412881447 Energy: 1.279942126021745 Energy: 1.2575194425870972 Energy: 1.3140464412881447 Energy: 1.279942126021745 minimum gb energy = 1.2413042802734773 eV minimum distance = 2.23601851110123 Angstroms sigma value = 33