Model name: model_name=SNAP_LiHuChen_2018_Ni__MO_913991514986_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=3.520425826311112 cohesive_energy=2.4459192092499484 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: -3.33480144358195 eV ======================================== theta = 0.0 ======================================== Energy: 0.011305508505353045 Energy: 0.5226702010051486 Energy: 0.5226702010051486 Energy: 0.011305508505353045 Energy: 0.5226702010051486 Energy: 0.5226702010051486 Energy: 0.011305508505353045 Energy: 0.5226702010051486 Energy: 0.5226702010051486 Energy: 0.011305508505353045 Energy: 0.5201343713909372 Energy: 0.014667668881780104 Energy: 0.5206611785399986 Energy: 0.5201343713909372 Energy: 0.014667668881780104 Energy: 0.5206611785399986 Energy: 0.5201343713909372 Energy: 0.014667668881780104 Energy: 0.5206611785399986 Energy: 0.5201343713909372 Energy: 1.0240757756099266 Energy: 0.30306581149641515 Energy: 0.30306581149641515 Energy: 1.024075774435273 Energy: 0.3030658114979394 Energy: 0.3030658114979394 Energy: 1.0240757833342902 Energy: 0.3030658114979394 Energy: 0.3030658114979394 Energy: 1.0240757763945532 Energy: 0.5201343713909372 Energy: 0.5206611785399986 Energy: 0.014667668881780104 Energy: 0.5201343713909372 Energy: 0.5206611785399986 Energy: 0.014667668881780104 Energy: 0.5201343713909372 Energy: 0.5206611785399986 Energy: 0.014667668881780104 Energy: 0.5201343713909372 Energy: 0.011305508505353045 Energy: 0.5226702010051486 Energy: 0.5226702010051486 Energy: 0.011305508505353045 Energy: 0.5226702010051486 Energy: 0.5226702010051486 Energy: 0.011305508505353045 Energy: 0.5226702010051486 Energy: 0.5226702010051486 Energy: 0.011305508505353045 Energy: 0.5201343713909372 Energy: 0.014667668883304324 Energy: 0.5206611785399986 Energy: 0.5201343713909372 Energy: 0.014667668881780104 Energy: 0.5206611785399986 Energy: 0.5201343713909372 Energy: 0.014667668881780104 Energy: 0.5206611785384744 Energy: 0.5201343713909372 Energy: 1.0240758989787997 Energy: 0.3030658114979394 Energy: 0.3030658114979394 Energy: 1.0240758483651853 Energy: 0.30306581149641515 Energy: 0.3030658114979394 Energy: 1.024075775015741 Energy: 0.30306581149641515 Energy: 0.30306581149641515 Energy: 1.02407577714414 minimum gb energy = 0.011305508505353045 eV minimum distance = 2.28854491605698 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.1199005544155607 Energy: 1.1822730249901132 Energy: 1.1814262524252557 Energy: 0.9571275975268174 Energy: 1.1822730249901132 Energy: 1.1814262524252557 Energy: 1.1199005544155607 Energy: 1.1822730249901132 Energy: 1.1814262524252557 Energy: 0.9571275975268174 Energy: 1.0422991996227577 Energy: 1.0599276423771777 Energy: 1.1480700666958294 Energy: 1.0422991996227577 Energy: 1.0599276423771777 Energy: 1.1480700666958294 Energy: 1.0422991996227577 Energy: 1.0599276423771777 Energy: 1.148070066692096 Energy: 1.0422991996227577 Energy: 1.0382763503054782 Energy: 1.1558135659351383 Energy: 1.1526691620047749 Energy: 1.2290206907264591 Energy: 1.1558135659351383 Energy: 1.152669165053736 Energy: 1.0382763503054782 Energy: 1.1558135659351383 Energy: 1.1526691667256581 Energy: 1.2290206907264591 Energy: 1.1828045306058106 Energy: 1.3455443680878385 Energy: 0.9574402590594727 Energy: 1.1828045306058106 Energy: 1.3455443680878385 Energy: 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Energy: 1.1822700280746357 Energy: 0.9573469250741216 Energy: 1.3327373720330404 Energy: 1.1822700280746357 Energy: 0.9573469250703879 Energy: 1.3327373720330404 Energy: 1.1822700280709024 Energy: 0.9573469250703879 Energy: 1.3327373720330404 Energy: 1.1822700280746357 Energy: 1.0991398592187243 Energy: 1.328960448136594 Energy: 1.0423291004949262 Energy: 1.0991398592187243 Energy: 1.3289604481403277 Energy: 1.0423291004949262 Energy: 1.0991398592187243 Energy: 1.328960448136594 Energy: 1.0423291004949262 Energy: 1.0991398592187243 Energy: 1.155180193398764 Energy: 1.2588117105974879 Energy: 1.0602434213918763 Energy: 1.155180193398764 Energy: 1.2588117105974879 Energy: 1.0599292194418506 Energy: 1.155180193398764 Energy: 1.2588117105974879 Energy: 1.0602434213918763 Energy: 1.155180193398764 Energy: 0.9571275975268174 Energy: 1.1822730249901132 Energy: 1.1814262524252557 Energy: 1.0672141560054318 Energy: 1.1822730249901132 Energy: 1.1814262524252557 Energy: 0.9571275975268174 Energy: 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======================================== theta = 34.04773236999154 ======================================== Energy: 1.2884267355306491 Energy: 1.0838793523327725 Energy: 1.0841742019426057 Energy: 1.1740412084879055 Energy: 1.0838793523327725 Energy: 1.0841742019444276 Energy: 1.2884267355306491 Energy: 1.0838793523327725 Energy: 1.0841742019444276 Energy: 1.1740412084879055 Energy: 1.2545092543952114 Energy: 1.2372278195934487 Energy: 1.2541186214607212 Energy: 1.2545092543952114 Energy: 1.2372278195934487 Energy: 1.2541186214607212 Energy: 1.2545092543952114 Energy: 1.2372278195934487 Energy: 1.2541186214607212 Energy: 1.2545092543952114 Energy: 1.2893157131923285 Energy: 1.2519680908100748 Energy: 1.0854435374840568 Energy: 1.283421308282296 Energy: 1.2519680908100748 Energy: 1.0854435374840568 Energy: 1.2893157131905069 Energy: 1.2519680908118966 Energy: 1.0854435374822518 Energy: 1.283421308284118 Energy: 1.105073147713722 Energy: 1.1059146027540507 Energy: 1.0850149748740263 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0.005399383123906127 Energy: 1.2514143446802457 Energy: 1.352539076064107 Energy: 0.005399383123906127 Energy: 1.2514143446802457 Energy: 1.1831994883380414 Energy: 1.2701278518608123 Energy: 1.2732006540408127 Energy: 1.1831994883380414 Energy: 1.2701278518608123 Energy: 1.2732006540408127 Energy: 1.1831994883380414 Energy: 1.2701278518608123 Energy: 1.273200654042868 Energy: 1.1831994883380414 Energy: 1.184472121453181 Energy: 1.2512910957099344 Energy: 1.266101654408866 Energy: 1.184472121453181 Energy: 1.2512046456657102 Energy: 1.266101654408866 Energy: 1.184472121453181 Energy: 1.2512910957099344 Energy: 1.266101654408866 Energy: 1.184472121453181 Energy: 1.2838721018441794 Energy: 1.2514284877218598 Energy: 1.1534601182233464 Energy: 1.2838721018441794 Energy: 1.25132562421329 Energy: 1.1534601182233464 Energy: 1.283872101842124 Energy: 1.2514284877218598 Energy: 1.1534601182233464 Energy: 1.2838721018441794 Energy: 1.247238415628953 Energy: 1.2622541820167157 Energy: 1.315394889917031 Energy: 1.247238415628953 Energy: 1.262254182018771 Energy: 1.315394889917031 Energy: 1.2472384156310081 Energy: 1.2622541820167157 Energy: 1.315394889917031 Energy: 1.2472384156310081 Energy: 1.274796715226497 Energy: 1.3894662147251424 Energy: 1.2847369139658906 Energy: 1.274796715226497 Energy: 1.3884952603899163 Energy: 1.2847369139658906 Energy: 1.274796715226497 Energy: 1.3894662147251424 Energy: 1.2847369139658906 Energy: 1.274796715226497 Energy: 1.3207772912195812 Energy: 1.2185684454069552 Energy: 0.2631665059523529 Energy: 1.3207772912195812 Energy: 1.2398177665526247 Energy: 0.26316650834155203 Energy: 1.3207772912195812 Energy: 1.2185684454069552 Energy: 0.2631665097631547 Energy: 1.3207772912195812 Energy: 0.9641008658837255 Energy: 1.2233538916557132 Energy: 1.274525065479811 Energy: 0.9641008658837255 Energy: 1.223669430897576 Energy: 1.274525065479811 Energy: 0.9641008658837255 Energy: 1.223353891653658 Energy: 1.274525065479811 Energy: 0.9641008658837255 minimum gb energy = -0.13545569643496988 eV minimum distance = 2.26331224140942 Angstroms sigma value = 165 ======================================== theta = 44.41530859719298 ======================================== Energy: 1.3387214906587799 Energy: 1.2907054401711362 Energy: 1.291676606988832 Energy: 1.2771414180336227 Energy: 1.2907054401704305 Energy: 1.291676606988832 Energy: 1.3387214906587799 Energy: 1.2907054401704305 Energy: 1.2916766069895373 Energy: 1.2771414180336227 Energy: 1.3830348263979595 Energy: 1.222337158598503 Energy: 1.4168589513606944 Energy: 1.3830348263979595 Energy: 1.222337158598503 Energy: 1.4168589513606944 Energy: 1.3830348263979595 Energy: 1.2223371585977973 Energy: 1.4168589513613998 Energy: 1.3830348263979595 Energy: 1.2200594694333668 Energy: 1.3184325848150242 Energy: 1.2605447130426708 Energy: 1.220059469434072 Energy: 1.3184325848150242 Energy: 1.260258802643293 Energy: 1.220059469434072 Energy: 1.3184325848150242 Energy: 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Energy: 1.277141418032917 Energy: 1.2907054401711362 Energy: 1.291676606988126 Energy: 1.2771414180336227 Energy: 1.2907054401704305 Energy: 1.291676606988126 Energy: 1.2771414180336227 Energy: 1.2907054401704305 Energy: 1.291676606988832 Energy: 1.2771414180336227 minimum gb energy = 1.1778262806994722 eV minimum distance = 2.29087436527813 Angstroms sigma value = 41 ======================================== theta = 52.20027756457278 ======================================== Energy: 1.3431650480672037 Energy: 1.183209006927032 Energy: 1.183239991393913 Energy: 1.3431650480672037 Energy: 1.183209006927032 Energy: 1.183239991393913 Energy: 1.3431650480672037 Energy: 1.183209006927032 Energy: 1.183239991393913 Energy: 1.3431650480672037 Energy: 1.1452903896387825 Energy: 1.0336093252071479 Energy: 1.1933342951447226 Energy: 1.1452903896387825 Energy: 1.0336093252071479 Energy: 1.1933342951447226 Energy: 1.1452903896387825 Energy: 1.0336093252071479 Energy: 1.1933342951447226 Energy: 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1.0414728130340838 Energy: 1.2712801654553 Energy: 1.1368145476801135 Energy: 1.0414728130340838 Energy: 1.1925498592539996 Energy: 1.0363138604706097 Energy: 1.1856028975594184 Energy: 1.1925498592539996 Energy: 1.0363138604706097 Energy: 1.1856028975594184 Energy: 1.1925498592539996 Energy: 1.0363138604706097 Energy: 1.1856028975594184 Energy: 1.1925498592539996 Energy: 1.1821815819569146 Energy: 1.1849696476681708 Energy: 1.1274102290540937 Energy: 1.1821815819569146 Energy: 1.1849696476681708 Energy: 1.1274102290540937 Energy: 1.1821815819569146 Energy: 1.1849696476681708 Energy: 1.1274102290540937 Energy: 1.1821815819569146 Energy: 1.0330519822983257 Energy: 1.2629305008810348 Energy: 1.1144934837583813 Energy: 1.0330519822983257 Energy: 1.2629305008810348 Energy: 1.1144934837583813 Energy: 1.0330519822983257 Energy: 1.2629305008810348 Energy: 1.1144934837583813 Energy: 1.0330519822983257 Energy: 1.041000997530202 Energy: 1.1031722362583596 Energy: 1.0738888671644842 Energy: 1.041000997530202 Energy: 1.1031722362583596 Energy: 1.0738888671644842 Energy: 1.041000997530202 Energy: 1.1031722362583596 Energy: 1.0738888671644842 Energy: 1.041000997530202 Energy: 1.1227724182139682 Energy: 1.0364046773732303 Energy: 1.082319313293053 Energy: 1.1227724182139682 Energy: 1.0364046773732303 Energy: 1.082319313293053 Energy: 1.1227724182139682 Energy: 1.0364046773732303 Energy: 1.082319313293053 Energy: 1.1227724182139682 Energy: 1.1119264815086212 Energy: 1.0334613019733956 Energy: 1.137699322846342 Energy: 1.1119264815086212 Energy: 1.0334613019733956 Energy: 1.137699322846342 Energy: 1.1119264815086212 Energy: 1.0334613019733956 Energy: 1.137699322846342 Energy: 1.1119264815086212 Energy: 1.2030891970660054 Energy: 1.2058081049326235 Energy: 1.0341447435658273 Energy: 1.1992275002171138 Energy: 1.1929510750731498 Energy: 1.034144743568565 Energy: 1.1987710345941902 Energy: 1.1823608670301553 Energy: 1.034144743568565 Energy: 1.1992275002171138 minimum gb energy = 1.0326157246033907 eV minimum distance = 2.28762351813139 Angstroms sigma value = 185 ======================================== theta = 62.96430821058772 ======================================== Energy: 0.5140960112813662 Energy: 0.6337953157720636 Energy: 0.6333051439096348 Energy: 0.45206337971944077 Energy: 0.6337953157753133 Energy: 0.6333051439096348 Energy: 0.5140960112813662 Energy: 0.6337953157753133 Energy: 0.6333051439096348 Energy: 0.45206337971944077 Energy: 0.517953019759565 Energy: 0.6200869965440561 Energy: 0.5885355181617788 Energy: 0.5179530197628145 Energy: 0.6200869965440561 Energy: 0.5885355181617788 Energy: 0.517953019759565 Energy: 0.6200869965440561 Energy: 0.5885355181617788 Energy: 0.517953019759565 Energy: 0.45215157645350523 Energy: 0.6195133696987879 Energy: 0.49344707257791626 Energy: 0.45215157645350523 Energy: 0.6195133696987879 Energy: 0.4934470725746667 Energy: 0.45215157645350523 Energy: 0.6195133697020376 Energy: 0.4934470725746667 Energy: 0.45215157645350523 Energy: 0.584528140676013 Energy: 0.6323304742313489 Energy: 0.5313900857377422 Energy: 0.584528140676013 Energy: 0.6323304742313489 Energy: 0.5313900857409624 Energy: 0.584528140676013 Energy: 0.6323304742313489 Energy: 0.5313900857409624 Energy: 0.584528140676013 Energy: 0.6330541443396339 Energy: 0.6639623493475262 Energy: 0.4543051298897102 Energy: 0.6330541443396339 Energy: 0.6639623493475262 Energy: 0.4543051298897102 Energy: 0.6330541443396339 Energy: 0.6639623493475262 Energy: 0.4543051298897102 Energy: 0.6330541443396339 Energy: 0.6852001818684414 Energy: 0.5608685364000123 Energy: 0.5050661860146087 Energy: 0.6852001818684414 Energy: 0.5608685363967627 Energy: 0.5050661860146087 Energy: 0.6852001818684414 Energy: 0.5608685363967627 Energy: 0.5050661860146087 Energy: 0.6852001818684414 Energy: 0.6320575775561537 Energy: 0.5044686539746277 Energy: 0.5459145021240396 Energy: 0.6320575775561537 Energy: 0.5044686539746277 Energy: 0.5459145021240396 Energy: 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0.5196464023412801 Energy: 0.559256018336895 Energy: 0.6208265212928771 Energy: 0.5196464023412801 Energy: 0.559256018336895 Energy: 0.6208265212928771 Energy: 0.5196464023412801 Energy: 0.45206337971944077 Energy: 0.6337953157720636 Energy: 0.6333051439096348 Energy: 0.4520633797161911 Energy: 0.6337953157753133 Energy: 0.6333051439096348 Energy: 0.4520633797161911 Energy: 0.6337953157753133 Energy: 0.6333051439096348 Energy: 0.45206337971944077 Energy: 0.517953019759565 Energy: 0.6200869965440561 Energy: 0.5885355181617788 Energy: 0.5179530197628145 Energy: 0.6200869965440561 Energy: 0.5885355181617788 Energy: 0.5179530197628145 Energy: 0.6200869965440561 Energy: 0.5885355181585291 Energy: 0.517953019759565 Energy: 0.45215157645350523 Energy: 0.6195133696987879 Energy: 0.49344707257791626 Energy: 0.45215157645350523 Energy: 0.6195133696987879 Energy: 0.4934470725746667 Energy: 0.45215157645350523 Energy: 0.6195133697020376 Energy: 0.4934470725746667 Energy: 0.45215157645350523 Energy: 0.584528140676013 Energy: 0.6323304742313489 Energy: 0.5313900857377422 Energy: 0.584528140676013 Energy: 0.6323304742313489 Energy: 0.5313900857409624 Energy: 0.584528140676013 Energy: 0.6323304742313489 Energy: 0.5313900857409624 Energy: 0.584528140676013 Energy: 0.6330541443396339 Energy: 0.6639623493475262 Energy: 0.4543051298897102 Energy: 0.6330541443396339 Energy: 0.6639623493475262 Energy: 0.4543051298897102 Energy: 0.6330541443396339 Energy: 0.6639623493475262 Energy: 0.4543051298897102 Energy: 0.6330541443396339 Energy: 0.6852001818684414 Energy: 0.5608685364000123 Energy: 0.5050661860146087 Energy: 0.6852001818684414 Energy: 0.5608685363967627 Energy: 0.5050661860146087 Energy: 0.6852001818684414 Energy: 0.5608685363967627 Energy: 0.5050661860146087 Energy: 0.6852001818684414 Energy: 0.6320575775561537 Energy: 0.5044686539746277 Energy: 0.5459145021240396 Energy: 0.6320575775561537 Energy: 0.5044686539746277 Energy: 0.5459145021240396 Energy: 0.6320575775561537 Energy: 0.5044686539746277 Energy: 0.5459145021240396 Energy: 0.6320575775561537 Energy: 0.684654584163222 Energy: 0.4542196049497762 Energy: 0.663024836770408 Energy: 0.6846545841664716 Energy: 0.4542196049497762 Energy: 0.663024836770408 Energy: 0.6846545841664716 Energy: 0.4542196049497762 Energy: 0.663024836770408 Energy: 0.684654584163222 Energy: 0.5323456172617654 Energy: 0.5340291327683924 Energy: 0.6322358114466424 Energy: 0.5323456172617654 Energy: 0.5340291327683924 Energy: 0.6322358114466424 Energy: 0.532345617265015 Energy: 0.5340291327683924 Energy: 0.6322358114466424 Energy: 0.532345617265015 Energy: 0.45210568757564723 Energy: 0.49348265064225316 Energy: 0.6195627123008822 Energy: 0.45210568757564723 Energy: 0.49348265064225316 Energy: 0.6195627123008822 Energy: 0.45210568757564723 Energy: 0.49348265064225316 Energy: 0.6195627123008822 Energy: 0.45210568757564723 Energy: 0.5196464023412801 Energy: 0.559256018336895 Energy: 0.6208265212928771 Energy: 0.5196464023412801 Energy: 0.559256018336895 Energy: 0.6208265212928771 Energy: 0.5196464023412801 Energy: 0.559256018336895 Energy: 0.6208265212928771 Energy: 0.5196464023412801 Energy: 0.5140960112813662 Energy: 0.6337953157720636 Energy: 0.6333051439096348 Energy: 0.4520633797161911 Energy: 0.6337953157753133 Energy: 0.6333051439096348 Energy: 0.5140960112813662 Energy: 0.6337953157753133 Energy: 0.6333051439096348 Energy: 0.45206337971944077 Energy: 0.517953019759565 Energy: 0.6200869965440561 Energy: 0.5885355181617788 Energy: 0.5179530197628145 Energy: 0.6200869965440561 Energy: 0.5885355181617788 Energy: 0.5179530197628145 Energy: 0.6200869965440561 Energy: 0.5885355181617788 Energy: 0.517953019759565 Energy: 0.45215157645350523 Energy: 0.6195133696987879 Energy: 0.49344707257791626 Energy: 0.45215157645350523 Energy: 0.6195133696987879 Energy: 0.4934470725746667 Energy: 0.45215157645350523 Energy: 0.6195133697020376 Energy: 0.4934470725746667 Energy: 0.45215157645350523 Energy: 0.584528140676013 Energy: 0.6323304742313489 Energy: 0.5313900857377422 Energy: 0.584528140676013 Energy: 0.6323304742313489 Energy: 0.5313900857409624 Energy: 0.584528140676013 Energy: 0.6323304742313489 Energy: 0.5313900857409624 Energy: 0.584528140676013 Energy: 0.6330541443396339 Energy: 0.6639623493475262 Energy: 0.4543051298897102 Energy: 0.6330541443396339 Energy: 0.6639623493475262 Energy: 0.4543051298897102 Energy: 0.6330541443396339 Energy: 0.6639623493475262 Energy: 0.4543051298897102 Energy: 0.6330541443396339 Energy: 0.6852001818684414 Energy: 0.5608685364000123 Energy: 0.5050661860146087 Energy: 0.6852001818684414 Energy: 0.5608685363967627 Energy: 0.5050661860146087 Energy: 0.6852001818684414 Energy: 0.5608685363967627 Energy: 0.5050661860146087 Energy: 0.6852001818684414 Energy: 0.6320575775561537 Energy: 0.5044686539746277 Energy: 0.5459145021240396 Energy: 0.6320575775561537 Energy: 0.5044686539746277 Energy: 0.5459145021240396 Energy: 0.6320575775561537 Energy: 0.5044686539746277 Energy: 0.5459145021240396 Energy: 0.6320575775561537 Energy: 0.684654584163222 Energy: 0.4542196049497762 Energy: 0.663024836770408 Energy: 0.6846545841664716 Energy: 0.4542196049497762 Energy: 0.663024836770408 Energy: 0.6846545841664716 Energy: 0.4542196049497762 Energy: 0.663024836770408 Energy: 0.684654584163222 Energy: 0.5323456172617654 Energy: 0.5340291327683924 Energy: 0.6322358114466424 Energy: 0.5323456172617654 Energy: 0.5340291327683924 Energy: 0.6322358114466424 Energy: 0.532345617265015 Energy: 0.5340291327683924 Energy: 0.6322358114466424 Energy: 0.532345617265015 Energy: 0.45210568757564723 Energy: 0.49348265064225316 Energy: 0.6195627123008822 Energy: 0.45210568757564723 Energy: 0.49348265064225316 Energy: 0.6195627123008822 Energy: 0.45210568757564723 Energy: 0.49348265064225316 Energy: 0.6195627123008822 Energy: 0.45210568757564723 Energy: 0.5196464023412801 Energy: 0.559256018336895 Energy: 0.6208265212928771 Energy: 0.5196464023412801 Energy: 0.559256018336895 Energy: 0.6208265212928771 Energy: 0.5196464023412801 Energy: 0.559256018336895 Energy: 0.6208265212928771 Energy: 0.5196464023412801 minimum gb energy = 0.4520633797161911 eV minimum distance = 2.33506886873158 Angstroms sigma value = 33 ======================================== theta = 69.97282751604145 ======================================== Energy: 1.1044164031466446 Energy: 1.0710566640574009 Energy: 1.0629251660796517 Energy: 0.8752783422778432 Energy: 1.0710566640574009 Energy: 1.0629251660796517 Energy: 1.1044164031430765 Energy: 1.0710566640574009 Energy: 1.0629251660796517 Energy: 0.8752783424953896 Energy: 1.0627860065367971 Energy: 1.0159559008648997 Energy: 1.0505443006488846 Energy: 1.0627860065367971 Energy: 1.0159559008648997 Energy: 1.0505443006471005 Energy: 1.0627860065385812 Energy: 1.0159559008648997 Energy: 1.0505443006471005 Energy: 1.0627860065367971 Energy: 1.0547247013784868 Energy: 1.0117432625469518 Energy: 0.8905473990154905 Energy: 1.0547247013784868 Energy: 1.0117432625469518 Energy: 0.8905473990172745 Energy: 1.0547247013784868 Energy: 1.0117432625469518 Energy: 0.8905473990172745 Energy: 1.0547247013784868 Energy: 1.1588201394410036 Energy: 1.014006634025965 Energy: 1.0532632026553417 Energy: 1.1588201394427875 Energy: 1.014006634025965 Energy: 1.0532632026553417 Energy: 1.1588201394427875 Energy: 1.014006634025965 Energy: 1.0532632026571256 Energy: 1.1588201394410036 Energy: 1.0528041602049214 Energy: 1.0479802836776018 Energy: 0.9959744251978048 Energy: 1.0528041602049214 Energy: 1.0479802836776018 Energy: 0.9959744251978048 Energy: 1.0528041602049214 Energy: 1.0479802836776018 Energy: 0.9959744251995889 Energy: 1.0528041602049214 Energy: 1.08145597782298 Energy: 1.1102612897684467 Energy: 1.048684038018346 Energy: 1.0814559778211958 Energy: 1.1102612897684467 Energy: 1.048684038018346 Energy: 1.0814559778211958 Energy: 1.1102612897666628 Energy: 1.048684038018346 Energy: 1.0814559778211958 Energy: 1.0060048465935576 Energy: 1.0641833507947325 Energy: 1.1241515983323163 Energy: 1.0063883542380698 Energy: 1.0641833507947325 Energy: 1.1241515983305321 Energy: 1.0060048465935576 Energy: 1.0641833507947325 Energy: 1.1241515983305321 Energy: 1.0063883542380698 Energy: 1.0850747325521066 Energy: 0.9977799679878977 Energy: 1.0021557696022227 Energy: 1.0850747325521066 Energy: 0.9977799679878977 Energy: 1.0021557696022227 Energy: 1.0850747325521066 Energy: 0.9977799679878977 Energy: 1.0021557696022227 Energy: 1.0850747325521066 Energy: 1.0628637286365923 Energy: 0.9616797923262508 Energy: 1.1233859897427707 Energy: 1.0628637286383762 Energy: 0.9616797923262508 Energy: 1.1233859897445546 Energy: 1.0628637286383762 Energy: 0.9616797923244667 Energy: 1.1233859897445546 Energy: 1.0628637286365923 Energy: 1.0739797931064239 Energy: 1.0265391041604783 Energy: 1.0245552681131194 Energy: 1.0739797931064239 Energy: 1.0265391041586944 Energy: 1.0245552681131194 Energy: 1.0739797931064239 Energy: 1.0265391041586944 Energy: 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1.0657691239286315 Energy: 1.0137735656700322 Energy: 1.0211448503753042 Energy: 1.0657691239286315 Energy: 1.0137735656700322 Energy: 1.0637870237804958 Energy: 1.0791570323695137 Energy: 1.0671447225185797 Energy: 1.0637870237820852 Energy: 1.0468903662898688 Energy: 1.0671447225185797 Energy: 1.0637870237820852 Energy: 1.0791570323695137 Energy: 1.0671447225185797 Energy: 1.0637870237804958 Energy: 1.049113641127652 Energy: 1.0517468926656388 Energy: 1.0278805549720382 Energy: 1.049113641127652 Energy: 1.0517468926674225 Energy: 1.0278805549720382 Energy: 1.049113641127652 Energy: 1.0517468926674225 Energy: 1.027880554970254 Energy: 1.049113641127652 Energy: 1.0625588356272353 Energy: 1.1236763986791722 Energy: 0.9649015593882451 Energy: 1.0625588356272353 Energy: 1.1236763986791722 Energy: 0.9649015593882451 Energy: 1.0625588356272353 Energy: 1.1236763986791722 Energy: 0.9649015593882451 Energy: 1.0625588356272353 Energy: 1.080221759958375 Energy: 1.1172690795068692 Energy: 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Energy: 1.3073894552747387 Energy: 1.3041928400350782 Energy: 1.3472580918173296 Energy: 1.3073894552747387 Energy: 1.3041928400350782 Energy: 1.3472580918173296 Energy: 1.3073894552747387 Energy: 1.3041928400350782 Energy: 1.3472580918173296 Energy: 1.3073894552747387 Energy: 1.531072132003065 Energy: 1.4223229203860908 Energy: 1.4222905431412354 Energy: 1.531072132003065 Energy: 1.4223229203860908 Energy: 1.4222905431412354 Energy: 1.531072132003065 Energy: 1.4223229203860908 Energy: 1.4222905431412354 Energy: 1.531072132003065 Energy: 1.3072849541949816 Energy: 1.3471037433723019 Energy: 1.3041794548924306 Energy: 1.3072849541949816 Energy: 1.3471037433723019 Energy: 1.3041794548924306 Energy: 1.3072849541949816 Energy: 1.3471037433723019 Energy: 1.3041794548924306 Energy: 1.3072849541949816 Energy: 1.3097709177812982 Energy: 1.4469582656902684 Energy: 1.4257878579398877 Energy: 1.3097709177812982 Energy: 1.4469582656902684 Energy: 1.4257878579398877 Energy: 1.3097709177812982 Energy: 1.4469582656902684 Energy: 1.4257878579398877 Energy: 1.3097709177812982 Energy: 1.4791754979182967 Energy: 1.3005866392901426 Energy: 1.3132220172407683 Energy: 1.4791754979182967 Energy: 1.3005866392901426 Energy: 1.3132220172407683 Energy: 1.4791754979182967 Energy: 1.3005866392901426 Energy: 1.3132220172407683 Energy: 1.4791754979182967 Energy: 1.3510016982705195 Energy: 1.5069770688207569 Energy: 1.306688905910748 Energy: 1.3510016982705195 Energy: 1.5069770688207569 Energy: 1.306688905910748 Energy: 1.3510016982705195 Energy: 1.5069770688207569 Energy: 1.306688905910748 Energy: 1.3510016982705195 minimum gb energy = 1.3005866392901426 eV minimum distance = 2.22373552815118 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.3795434614692266 Energy: 1.3780400384523885 Energy: 1.378422906519796 Energy: 1.3795434614692266 Energy: 1.3780400384523885 Energy: 1.378422906519796 Energy: 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1.3657996520554803 Energy: 1.3084139265650931 Energy: 1.5292029550097757 Energy: 1.3657996520579034 Energy: 1.3648379005698872 Energy: 1.3430378002082632 Energy: 1.4914311818123358 Energy: 1.3648379005677023 Energy: 1.3430378002082632 Energy: 1.4914311818123358 Energy: 1.3648379005677023 Energy: 1.3430378002104482 Energy: 1.4914311818123358 Energy: 1.3648379005698872 Energy: 1.3243307892814387 Energy: 1.3676322381734332 Energy: 1.3394255669203974 Energy: 1.3243307892814387 Energy: 1.3676322381734332 Energy: 1.3392104145072719 Energy: 1.3243307892814387 Energy: 1.3676322381734332 Energy: 1.3394255669203974 Energy: 1.3243307892814387 Energy: 1.280649280057589 Energy: 1.2794260750951172 Energy: 1.4244937321536122 Energy: 1.280649280059774 Energy: 1.279426075092932 Energy: 1.4244937321557973 Energy: 1.280649280059774 Energy: 1.279426075092932 Energy: 1.4244937321557973 Energy: 1.280649280057589 Energy: 1.4136440155041272 Energy: 1.4770554382412424 Energy: 1.498976872210279 Energy: 1.3635154466741561 Energy: 1.4770554382412424 Energy: 1.498976872210279 Energy: 1.4136440155017038 Energy: 1.4770554382412424 Energy: 1.498976872210279 Energy: 1.3635154466719712 minimum gb energy = 1.2729245792636896 eV minimum distance = 2.23290658066545 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.320923273280438 Energy: 1.3193141879442618 Energy: 1.318151998451671 Energy: 1.320923273280438 Energy: 1.3193141879442618 Energy: 1.318151998451671 Energy: 1.320923273280438 Energy: 1.3193141879442618 Energy: 1.318151998451671 Energy: 1.320923273280438 Energy: 1.4266874175736244 Energy: 1.2677959244998824 Energy: 1.2789529733679923 Energy: 1.4266874175744204 Energy: 1.2677959244998824 Energy: 1.2789529733679923 Energy: 1.4266874175736244 Energy: 1.2677959244998824 Energy: 1.2789529733679923 Energy: 1.4266874175744204 Energy: 1.4071956602579192 Energy: 1.26199793471046 Energy: 1.5648847063356905 Energy: 1.4071956602579192 Energy: 1.26199793471046 Energy: 1.5648847063356905 Energy: 1.4071956602579192 Energy: 1.26199793471046 Energy: 1.5648847063356905 Energy: 1.4071956602579192 Energy: 1.4009019353413228 Energy: 1.494440124891334 Energy: 1.3310729779823132 Energy: 1.4009019353413228 Energy: 1.494440124891334 Energy: 1.3310729779823132 Energy: 1.4009019353413228 Energy: 1.494440124891334 Energy: 1.3310729779823132 Energy: 1.4009019353413228 Energy: 1.295223812917323 Energy: 1.273453875554538 Energy: 1.5146633806388414 Energy: 1.295223812917323 Energy: 1.273453875554538 Energy: 1.5146633755984396 Energy: 1.2952238129181188 Energy: 1.273453875554538 Energy: 1.5146633703456145 Energy: 1.2952238129181188 Energy: 1.3325267548849857 Energy: 1.441405332400471 Energy: 1.2687720900313062 Energy: 1.3325267548849857 Energy: 1.441405332400471 Energy: 1.2687720900313062 Energy: 1.3325267548849857 Energy: 1.441405332400471 Energy: 1.2687720900313062 Energy: 1.3325267548849857 Energy: 1.319842956191549 Energy: 1.29534563829389 Energy: 1.2622578132461288 Energy: 1.319842956190753 Energy: 1.29534563829389 Energy: 1.2622578132461288 Energy: 1.319842956190753 Energy: 1.29534563829389 Energy: 1.2622578132461288 Energy: 1.319842956190753 Energy: 1.317729106644654 Energy: 1.493243618581413 Energy: 1.3866107021016756 Energy: 1.31772910664545 Energy: 1.493243618581413 Energy: 1.3866107021016756 Energy: 1.317729106644654 Energy: 1.4932436185806173 Energy: 1.3866107021016756 Energy: 1.31772910664545 Energy: 1.47182767999741 Energy: 1.273702806783183 Energy: 1.2737039518521567 Energy: 1.4718276799966137 Energy: 1.273702806783183 Energy: 1.2737039518521567 Energy: 1.47182767999741 Energy: 1.273702806782387 Energy: 1.2737039518521567 Energy: 1.47182767999741 Energy: 1.4081546450023783 Energy: 1.337878152456614 Energy: 1.4018521745189554 Energy: 1.4081546450023783 Energy: 1.337878152456614 Energy: 1.4018521743017203 Energy: 1.4081546450023783 Energy: 1.337878152456614 Energy: 1.401852174200701 Energy: 1.4081546450023783 Energy: 1.3572862400797647 Energy: 1.3581625851465224 Energy: 1.3025784771726456 Energy: 1.3572862400797647 Energy: 1.3581625851465224 Energy: 1.3025784771726456 Energy: 1.3572862400797647 Energy: 1.3581625851465224 Energy: 1.3025784771726456 Energy: 1.3572862400797647 Energy: 1.3388167029665297 Energy: 1.2660851196258551 Energy: 1.2778047527609813 Energy: 1.3388167029665297 Energy: 1.2660851196258551 Energy: 1.2778047527609813 Energy: 1.3388167029665297 Energy: 1.2660851196258551 Energy: 1.2778047527609813 Energy: 1.3388167029665297 Energy: 1.2737993178807807 Energy: 1.3283701664352956 Energy: 1.2737402248437113 Energy: 1.2737993178815767 Energy: 1.3283701664352956 Energy: 1.2737402248437113 Energy: 1.2737993178815767 Energy: 1.3283701664352956 Energy: 1.2737402248437113 Energy: 1.2737993178815767 Energy: 1.2897745346069016 Energy: 1.2654269205806847 Energy: 1.387153737889183 Energy: 1.2897745346069016 Energy: 1.2654269205806847 Energy: 1.3871537379321668 Energy: 1.2897745346069016 Energy: 1.2654269205806847 Energy: 1.3871537379226149 Energy: 1.2897745346069016 minimum gb energy = 1.26199793471046 eV minimum distance = 2.22706960490384 Angstroms sigma value = 33