388 lines
50 KiB
Plaintext
388 lines
50 KiB
Plaintext
# Displaced_A15.xyz
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| config | # atoms | energy | DFT energy | energy error | force | DFT force | force error |
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1 64 -753.4390371752326 -754.220443 0.01220946601199202 7.7359246352724735 8.398670476926332 0.11471486453014251
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2 64 -752.9893805808076 -753.865255 0.013685537799881686 8.849199836710662 9.134430544814492 0.1287092089679958
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3 64 -753.3208522271651 -754.0221 0.010956996450545375 8.322448701669382 9.01726110188127 0.11543646533369346
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4 64 -753.5955479782021 -754.279613 0.01068851596559206 7.708631394844389 8.381725091649153 0.10577524228650732
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5 64 -753.0525448444864 -753.777209 0.011322877429899236 8.902153475983615 9.478314476700007 0.11903245126474139
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6 64 -753.3492631013598 -754.048643 0.010927810916252056 7.810233105281744 8.465317937559755 0.11274191140550914
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7 64 -753.6490826217008 -754.317603 0.010445630910924208 7.444807443274137 8.127690490502268 0.10226834429143417
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8 64 -753.3275351414892 -753.969161 0.010025404039231134 8.529201159468718 9.425464951766411 0.10637302916558795
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9 64 -753.3951654722857 -754.141988 0.011669101995535058 8.169918021055793 8.821346913268911 0.11395803520469787
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# Displaced_BCC.xyz
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| config | # atoms | energy | DFT energy | energy error | force | DFT force | force error |
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10 54 -631.725631413707 -631.019667 0.013073415068647508 15.431379778754623 16.625876002911852 0.2644440980796851
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11 54 -632.2717820872797 -631.719595 0.010225686801475233 14.520227662587834 15.58666626272206 0.22342919964495261
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12 54 -631.9433982087933 -631.386255 0.01031746682950488 15.214742433867212 15.923788831679882 0.22596574558883006
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13 54 -633.0715327120432 -632.575826 0.009179753926726217 13.387222636666216 14.55977161807516 0.20468605633376236
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14 54 -630.8934957092154 -630.450212 0.008208957578062837 16.552089439087357 16.963407263806737 0.2363411306274772
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15 54 -632.072027817256 -631.669379 0.0074564595788131184 15.243544778682303 16.057573148572235 0.22775532023207254
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16 54 -632.8026455357679 -632.431277 0.006877195106811642 14.21146642062757 14.698107183802986 0.20251384100703443
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17 54 -631.6802090112549 -630.960068 0.013335944652868437 14.712341553828736 15.9907314848333 0.2281495606603728
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18 54 -625.0384776514612 -623.378198 0.03074591947150414 23.40214765718913 24.67640432462571 0.3498682732252174
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# Displaced_FCC.xyz
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| config | # atoms | energy | DFT energy | energy error | force | DFT force | force error |
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19 48 -555.969904811669 -555.899463 0.001467537743105633 6.076723570748012 6.084617062577644 0.07097225765492333
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20 48 -555.9513725469128 -555.922478 0.0006019697273510852 6.276808106531197 6.297071211051453 0.09304008021518881
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21 48 -555.835257549147 -555.800269 0.00072892810722891 6.149373524242876 6.021098635803518 0.08156835335224157
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22 48 -556.2646335356568 -556.196151 0.001426719492850263 5.061971936407696 5.127955094071613 0.08671676460897809
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23 48 -555.6280533684239 -555.488929 0.002898424342165621 6.842691138375877 7.050223458554702 0.08140862133512886
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24 48 -556.1096232731899 -556.027926 0.0017020265247893462 5.6575861523633195 5.611881174158804 0.07972132810700386
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25 48 -556.0586145380752 -555.968399 0.0018794903765666504 5.876517216968555 5.9792171885302 0.07481336710744813
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26 48 -556.0087786397098 -556.047132 0.0007990283393795039 5.74973737030892 5.544452585448 0.0823072925322586
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27 48 -555.8257619360792 -555.747848 0.0016232070016499733 6.360724152060266 6.478925680043952 0.095318902732143
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# Elastic_BCC.xyz
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| config | # atoms | energy | DFT energy | energy error | force | DFT force | force error |
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28 2 -23.683550425846665 -23.689367 0.0029082870766679036 0.0006476690588572927 0.0006222748588847215 7.473202769956755e-06
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29 2 -23.682831250950592 -23.689888 0.0035283745247038922 0.0006432761423583504 0.0006166052221640683 7.1271201985185965e-06
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30 2 -23.682952614071045 -23.689996 0.003521692964477907 0.0009101925681542782 0.0008810425642385276 1.137157013984847e-05
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31 2 -23.681098785511647 -23.690957 0.0049291072441768335 1.0425659390262322e-06 0 4.159514903266254e-07
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32 2 -23.67921705710719 -23.690521 0.005651971446404502 0.0006251577895523053 0.0005982273815197694 7.343256664294399e-06
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33 2 -23.677874583395827 -23.69038 0.006252708302087129 0.0006209549803831195 0.0005925723584508478 7.867520009829775e-06
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34 2 -23.684170458885628 -23.689202 0.0025157705571867695 0.0006510533140485812 0.000627936302502093 6.902839007622262e-06
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35 2 -23.681714227205788 -23.690482 0.004383886397105741 0.0009007678996179034 0.0008640138887772579 1.283008502782521e-05
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36 2 -23.683028429477847 -23.689902 0.0034367852610763805 0.0006422803124981428 0.0006152154094299004 8.366792769892771e-06
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37 2 -23.680657088668543 -23.690563 0.004952955665729064 0.0006308861576554125 0.0006038725030997851 7.233699895410952e-06
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38 2 -23.683393925965 -23.690207 0.0034065370175007104 0.0011163849202493888 0.001073697350280795 1.742886827481733e-05
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39 2 -23.68371008255624 -23.689285 0.002787458721881464 0.0009201854861706928 0.0008900134830439369 1.081370451823491e-05
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40 2 -23.68346034111465 -23.689768 0.0031538294426756153 0.0011184689790848885 0.0010802490453594485 1.561262987089111e-05
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41 2 -23.682260284222934 -23.68968 0.0037098578885323974 0.0009056805320988055 0.0008680034562143172 1.2942258416937018e-05
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42 2 -23.682615253340405 -23.690074 0.00372937332979717 0.0014343132328015424 0.001373818765339883 2.364310381992004e-05
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43 2 -23.684711203370252 -23.688108 0.001698398314873728 0.0006578004798598957 0.0006336134468270066 7.710525098436863e-06
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44 2 -23.684069319466207 -23.689241 0.0025858402668959 0.0009210090547512481 0.0008880101350772974 1.1437392933510076e-05
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45 2 -23.683864034274844 -23.68952 0.002827982862578793 0.0009167488426013654 0.0008860011286674525 1.0705797625711324e-05
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46 2 -23.685263331476023 -23.686278 0.0005073342619894561 0.0006658873000284248 0.0006406777661195993 8.36856655526146e-06
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47 2 -23.676313172278014 -23.690097 0.006891913860993526 0.0008723081534958789 0.0008410160521654744 1.0770083358680308e-05
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48 2 -23.678370717636533 -23.690811 0.0062201411817337515 0.00087996871231705 0.0008500070587942196 1.0563636235298751e-05
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49 2 -23.679834898447996 -23.690266 0.005215550776002331 0.0010902204317072691 0.0010443227470470994 1.8746535737966796e-05
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50 2 -23.682115571261853 -23.690597 0.004240714369073473 0.0011040891234378606 0.0010508330029076933 2.1742364116554287e-05
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51 2 -23.680523087809817 -23.690673 0.005074956095091565 0.000630183983196947 0.0006038907185907066 7.629835036137716e-06
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52 2 -23.681873678464335 -23.690551 0.004338660767832181 0.0009009015562315082 0.0008590064027700842 1.4407738034192931e-05
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53 2 -23.681933670436827 -23.690693 0.0043796647815863565 0.0008999859751191855 0.00085901105930017 1.4706469899991164e-05
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54 2 -23.680990770766776 -23.69021 0.004609614616612134 0.0008986014376733373 0.0008730051546239576 9.195531992534934e-06
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55 2 -23.684282362261186 -23.688943 0.002330318869406156 0.0009218654011869684 0.0008800306812833288 1.5750861187965402e-05
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56 2 -23.678442500583806 -23.690136 0.00584674970809651 0.0006229280885208375 0.0005939966329870902 8.16500755219794e-06
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57 2 -23.684959166142942 -23.687444 0.0012424169285285558 0.0009334481707504335 0.0009030592450110901 1.2459661479063363e-05
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58 2 -23.683650087849102 -23.689801 0.0030754560754484572 0.0009146886860184622 0.0008740011441640107 1.3790679929593067e-05
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59 2 -23.681502954592776 -23.690408 0.004452522703612516 8.676767994163874e-07 0 3.2406803481183945e-07
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60 2 -23.6811769895625 -23.690362 0.004592505218750986 0.0006335685053149941 0.0006067503605272931 9.1516472532463e-06
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61 2 -23.672313219347465 -23.688881 0.00828389032626653 0.0008552029623089581 0.000825005454527423 1.060295798841738e-05
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62 2 -23.679154318274833 -23.690515 0.005680340862584288 0.001532433686361262 0.0014757797938717012 2.0299661567744407e-05
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63 2 -23.677886527480794 -23.690551 0.006332236259602553 0.0006218059544126723 0.000599659903612039 7.059369489859501e-06
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64 2 -23.68318177659328 -23.689487 0.0031526117033600087 0.0006460132823821006 0.0006194384553771262 7.30653778605412e-06
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65 2 -23.6834243250035 -23.68986 0.003217837498249665 0.0009128387020651665 0.0008860124152629014 1.006332021289275e-05
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66 2 -23.683795899205407 -23.689288 0.0027460503972971395 0.0014501415529225951 0.0013964791441335596 1.634580133285587e-05
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67 2 -23.677026792887027 -23.690457 0.0067151035564858574 0.000617709466433826 0.000593983164744591 6.846257631708582e-06
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68 2 -23.67554712059274 -23.689792 0.00712243970363069 0.0008684321335906783 0.0008340587509282545 1.3708588448357538e-05
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69 2 -23.675858694077434 -23.690006 0.007073652961283372 0.0006135944919266407 0.0005897694464788762 7.837786877064783e-06
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70 2 -23.677758808338936 -23.690571 0.0064060958305312 0.000619749880010558 0.0005939781140749213 7.168262259739757e-06
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71 2 -23.68271900062502 -23.690213 0.003746999687489705 0.0011105542712354871 0.0010843154522554772 1.071520675602834e-05
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72 2 -23.678725752531676 -23.690617 0.005945623734161742 0.0006240186397231573 0.000602468256425183 6.387201051687894e-06
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73 2 -23.6823343523215 -23.689761 0.003713323839249938 0.0009081453907729703 0.0008790688255193674 1.17661282848485e-05
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74 2 -23.676752401328642 -23.69027 0.00675879933567991 7.176913967914656e-07 0 2.125744118309751e-07
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75 2 -23.681665763472107 -23.690599 0.004466618263945676 0.0006366113374537021 0.0006137752031485143 6.34150373901385e-06
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76 2 -23.679997158979795 -23.69061 0.005306420510102328 9.682990002170523e-07 0 3.95249540060385e-07
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77 2 -23.680105354386843 -23.690603 0.005248822806578346 0.0008909316186869353 0.0008590331774733733 1.2098382218456877e-05
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78 2 -23.684906304131438 -23.687908 0.0015008479342810688 0.0009326791316015999 0.0009010105437784844 1.1591748673966109e-05
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79 2 -23.679528470423108 -23.690688 0.005579764788446795 0.0008876851828652745 0.0008470064934816027 1.3731786829717337e-05
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80 2 -23.68317941069559 -23.689988 0.003404294652204598 0.0006441846351874292 0.0006194465271514563 7.196142513802552e-06
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81 2 -23.683237678843675 -23.689613 0.0031876605781633316 0.0009115392618549116 0.0008740732234773012 1.4947897712156032e-05
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82 2 -23.681832361620565 -23.690678 0.004422819189716876 0.0006364078268921324 0.000612375701673409 7.224857740084152e-06
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83 2 -23.68198086909499 -23.69017 0.004094565452504639 0.0009027683599124537 0.0008750051428420292 9.384208209039902e-06
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84 2 -23.68485188619143 -23.687892 0.0015200569042850276 0.0011405066773943766 0.0011120701416727273 1.1609333386215307e-05
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85 2 -23.682730047869796 -23.690132 0.0037009760651010026 0.0009071538278852567 0.0008680184329840007 1.454415554481392e-05
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86 2 -23.68019960463501 -23.690843 0.005321697682495241 0.0006294962247976172 0.0006081134762525825 5.673200481092262e-06
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87 2 -23.67959883193301 -23.690598 0.005499584033495708 0.0012573990137831293 0.0012176748334428202 1.196245872822813e-05
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88 2 -23.67871455060811 -23.690656 0.005970724695945506 0.0006241805676574821 0.0006024765555604633 6.89506605025823e-06
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89 2 -23.678868845521063 -23.690254 0.005692577239468477 0.0010830560554754736 0.0010434960469498675 1.615531856340203e-05
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90 2 -23.679636012466986 -23.690694 0.005528993766507284 0.0006263875538931059 0.0006010740387007244 7.903535474889229e-06
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91 2 -23.68204319954563 -23.690097 0.004026900227184882 0.0009027574345069849 0.0008730234819293235 1.1234808000221724e-05
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92 2 -23.684779030705666 -23.688402 0.00181148464716685 0.0006565952392739548 0.0006321803540129985 7.524678375019673e-06
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93 2 -23.684267663766803 -23.688669 0.002200668116598692 0.0011318841038453823 0.0010924742559895863 1.608896485559204e-05
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94 2 -23.68019582698904 -23.690538 0.005171086505480815 0.0008909214342622286 0.0008610145178799253 1.0067268763793119e-05
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95 2 -23.68291967638672 -23.689722 0.003401161806639408 0.0006455663966153892 0.0006251287867311823 7.046462616052822e-06
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96 2 -23.678972792236834 -23.690581 0.0058041038815837 7.44074397512686e-07 0 2.3516678623996165e-07
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97 2 -23.684102154519017 -23.688755 0.0023264227404915516 0.0006510215391343523 0.0006251143895320279 8.03069497900803e-06
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98 2 -23.67369768937527 -23.689312 0.00780715531236531 0.0008603704973777361 0.0008290597083443387 1.2755092983300004e-05
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99 2 -23.684908080567226 -23.687388 0.0012399597163863518 0.0011442489178640478 0.0011202374748239769 9.804223325476541e-06
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100 2 -23.681765120855932 -23.690664 0.004449439572034919 0.0006357549971802379 0.000610940258945177 6.039081009439518e-06
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101 2 -23.6745253582953 -23.68941 0.007442320852350193 0.0006109707423746426 0.0005883553348105209 7.479342931729864e-06
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102 2 -23.683232527615328 -23.690035 0.0034012361923370094 0.0009114851156254112 0.0008810062428836699 1.0600379072105804e-05
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103 2 -23.67586856725561 -23.690015 0.007073216372194935 0.0008691580474993151 0.0008450195264016091 9.413574038666883e-06
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104 2 -23.678580559558053 -23.690752 0.006085720220973201 0.0006235473996879205 0.0005996415596004001 6.797601023185525e-06
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105 2 -23.682994318122617 -23.689825 0.0034153409386910027 0.0009121092564697617 0.0008800215906442294 1.1017204496550302e-05
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106 2 -23.67878042409545 -23.690562 0.005890787952274934 0.0008835102788015779 0.0008560011682235019 9.575573824772974e-06
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107 2 -23.67876249871482 -23.690622 0.005929750642589937 0.0008821088565372046 0.000839001787840765 1.484153955424021e-05
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108 2 -23.684361396239332 -23.688764 0.002201301880333517 0.0009237282472029886 0.0008910185183260783 1.209460304379537e-05
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109 2 -23.683424088479143 -23.690011 0.0032934557604278325 0.0006455203504159495 0.000619428769109088 6.989024141676342e-06
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110 2 -23.68477972122944 -23.687696 0.001458139385279722 0.0011417974177311717 0.0010875899962761704 2.2136532345396842e-05
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111 2 -23.67979745617854 -23.691019 0.005610771910729895 0.000887459363306114 0.0008540035128733372 1.1308579093762881e-05
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112 2 -23.684417341338246 -23.689025 0.0023038293308772495 6.714174564362815e-07 0 2.6447613296779723e-07
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113 2 -23.682105456232748 -23.689952 0.003923271883627066 7.375812186628418e-07 0 2.87710106419197e-07
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114 2 -23.679373421149208 -23.69061 0.005618289425395773 0.0008858347656861378 0.0008580011655003739 9.722682391328244e-06
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115 2 -23.681010184475962 -23.690595 0.004792407762018058 0.0008941992404822814 0.0008680069124148724 9.370871691178886e-06
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116 2 -23.677454858831375 -23.690231 0.006388070584312899 0.0006184384218933036 0.0005925892337867774 8.312416917572188e-06
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117 2 -23.678114521064945 -23.690469 0.006177239467527684 0.000878804665300108 0.0008500294112558695 1.1352892577467653e-05
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118 2 -23.682809722940426 -23.690482 0.0038361385297864814 0.0009064558998578736 0.0008740102974221756 1.1795188787344284e-05
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119 2 -23.674450464355935 -23.689613 0.007581267822033055 0.0008635816767330972 0.0008320192305469868 1.1873611117183618e-05
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120 2 -23.68503233996722 -23.687426 0.001196830016390038 0.0011440058800894035 0.0010957773496472721 1.970496565956022e-05
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121 2 -23.683041229840306 -23.689562 0.003260385079846273 0.000646416626521923 0.0006265237425668717 6.301725390005497e-06
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122 2 -23.681364260802106 -23.6904 0.004517869598947399 4.2678955103345556e-07 0 1.7302665656744715e-07
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123 2 -23.678449205380996 -23.690561 0.00605589730950129 0.0006225017999235374 0.0005982273815197696 6.582395658679646e-06
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124 2 -23.672940099731584 -23.689107 0.008083450134208192 0.0008575379655353367 0.0008180073349304395 1.3916026213073303e-05
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125 2 -23.68125436286827 -23.690145 0.004445318565865719 0.0008995456421252973 0.0008740766556772925 1.0851089962563835e-05
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126 2 -23.677795566877222 -23.690482 0.006343216561388587 0.0006205800343154262 0.0005939983164959308 8.129410538415218e-06
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127 2 -23.68320022575128 -23.689864 0.003331887124360833 0.0009128887457721185 0.0008860124152629013 9.977733949510669e-06
|
|
# Elastic_FCC.xyz
|
|
| config | # atoms | energy | DFT energy | energy error | force | DFT force | force error |
|
|
128 4 -46.44941937885655 -46.437936 0.0028708447141365667 0.0007059505112326787 0.0012659494460680492 0.00015753512118556006
|
|
129 4 -46.45314527740559 -46.438504 0.003660319351396879 0.0007168985658492877 0.0014925494966666934 0.00020422649056262801
|
|
130 4 -46.44682076258373 -46.436378 0.0026106906459322232 0.00048609813308345264 0.0008105923759819111 0.00011091932963905401
|
|
131 4 -46.4535537865072 -46.441551 0.003000696626800803 0.0008594099426657951 0.0012836751925623551 0.00012412472732441972
|
|
132 4 -46.42401968287679 -46.416957 0.001765670719198198 0.000745166218374857 0.0011861458594962088 0.00012127805586020797
|
|
133 4 -46.4507550532417 -46.440495 0.002565013310425357 0.0007246800403739816 0.001212440514004708 0.00011294088261732326
|
|
134 4 -46.450102231278855 -46.437972 0.003032557819713233 0.0011124126198359756 0.0023582264522305743 0.0003178539174438232
|
|
135 4 -46.46241820894681 -46.44586 0.0041395522367011495 0.0010738118265656725 0.0020339498518891753 0.00027141509279341006
|
|
136 4 -46.447395590373304 -46.435744 0.002912897593326136 0.0008366669237696503 0.0016908494906407252 0.0002714270238725299
|
|
137 4 -46.45234519523612 -46.438209 0.003534048809029855 0.0007011638116875919 0.0011600499989224602 0.00011030104402579195
|
|
138 4 -46.43639519914056 -46.42629 0.0025262997851402957 0.0004829889560626343 0.0005297018029042378 1.4969276197625142e-05
|
|
139 4 -46.454636522362286 -46.443301 0.00283388059057188 0.0008550496586212043 0.0018184215682838787 0.0002405038869846267
|
|
140 4 -46.45132385761171 -46.439002 0.0030804644029274186 0.0009776437659172188 0.00141697353539154 0.00011509877758495834
|
|
141 4 -46.44219404569322 -46.432438 0.0024390114233057147 0.0008916562235490486 0.0010104691979471716 5.904351906546824e-05
|
|
142 4 -46.41838031961855 -46.412654 0.001431579904636493 0.0010993862660479531 0.0018019597664764885 0.00019133118786211499
|
|
143 4 -46.455923399312304 -46.443231 0.0031730998280767864 0.0006931717456361842 0.0016915909671075926 0.00021075721278934582
|
|
144 4 -46.44135997001782 -46.431513 0.0024617425044546337 0.0011445971431134783 0.001680544852123858 0.00013452706567325154
|
|
145 4 -46.44453730613819 -46.435608 0.002232326534546303 0.0007081471843556889 0.0009593039143045338 5.8975382475984813e-05
|
|
146 4 -46.451262720266634 -46.437689 0.003393430066658709 0.0007229338599070208 0.00121770850370686 0.0001424744518153733
|
|
147 4 -46.43749637361137 -46.428447 0.0022623434028421485 0.0008678647585168176 0.002060081551783812 0.00030871963440084853
|
|
148 4 -46.44290243882227 -46.432255 0.0026618597055687587 0.0005285309461994719 0.0006274201144368897 5.646789572846038e-05
|
|
149 4 -46.45479908189084 -46.442315 0.003121020472709901 0.0008613398203177391 0.002424436841825334 0.0004118852714024987
|
|
150 4 -46.44914733840371 -46.436613 0.003133584600927719 0.0004829935575482724 0.0005321240456885968 3.9069042183176794e-05
|
|
151 4 -46.44089704997446 -46.430825 0.0025180124936152737 0.0007516389898604212 0.0013999871427981042 0.0001679984915862767
|
|
152 4 -46.44330901238874 -46.43312 0.0025472530971839547 0.0004849740535365016 0.0007272771136231361 6.331929245566039e-05
|
|
153 4 -46.44514050647001 -46.434347 0.002698376617502163 0.0007119851172642342 0.0012844516339668068 0.00015873055749503475
|
|
154 4 -46.439637812034725 -46.430573 0.002266203008680634 0.0007257899060809285 0.0013157461761297276 0.00014305890452274563
|
|
155 4 -46.46201463803581 -46.445665 0.004087409508953144 0.0008319923195053843 0.0018078915896701322 0.0002729994856784387
|
|
156 4 -46.44734366306583 -46.435898 0.0028614157664570428 0.0007089367266301881 0.0018693009388538807 0.00026559356847789594
|
|
157 4 -46.452762489810674 -46.442107 0.0026638724526684143 0.0005069910783232368 0.0006020930160697763 3.2052038687995926e-05
|
|
158 4 -46.446832573452326 -46.434432 0.003100143363081287 0.0008347024775374911 0.001092982159049268 9.517247832575017e-05
|
|
159 4 -46.45030335028082 -46.436308 0.0034988375702056373 0.000991387131387365 0.0018391508910364043 0.0002491233005592606
|
|
160 4 -46.43241704405488 -46.423938 0.002119761013720023 0.0007728067971989136 0.001463463016273387 0.00019917724529042776
|
|
161 4 -46.436964247031334 -46.428115 0.0022123117578338736 0.0005387066303691315 0.0008584497655658133 9.33592333542155e-05
|
|
162 4 -46.43547574976798 -46.4269 0.0021439374419944812 0.001005360450581525 0.001845719913746395 0.00024523739345613083
|
|
163 4 -46.43185011820434 -46.421142 0.0026770295510836206 0.0009126886631453579 0.0013091501059847952 9.422144881760089e-05
|
|
164 4 -46.441027931112295 -46.432233 0.0021987327780745858 0.0006930676536213178 0.0007253109677924358 2.4465462769930277e-05
|
|
165 4 -46.440926698173904 -46.429408 0.0028796745434753745 0.0007160453836733357 0.0010683276650915673 9.398920625249203e-05
|
|
166 4 -46.45969531383333 -46.445145 0.003637578458333124 0.0008295265355770995 0.0017760382878755743 0.0002424181737119255
|
|
167 4 -46.445788312002946 -46.435868 0.002480078000736796 0.001003141884998742 0.0023760747042128115 0.00039032325326435684
|
|
168 4 -46.45154490024757 -46.439663 0.00297047506189152 0.00047549471745760426 0.0011194034125372317 0.00011583612287283031
|
|
169 4 -46.4360653271662 -46.428287 0.001944581791549993 0.0010326775447078273 0.001277000391542618 7.062829592337066e-05
|
|
170 4 -46.432331957753014 -46.424584 0.001936989438252823 0.000546618565427016 0.0008032957114288611 5.904556270983884e-05
|
|
171 4 -46.41876087513192 -46.413045 0.001428968782981599 0.0008981113409491086 0.001248322073825501 7.402047808476336e-05
|
|
172 4 -46.44592630332668 -46.436994 0.002233075831670206 0.0008463264405273459 0.0013319391878010044 0.00016929450604466432
|
|
173 4 -46.45734620665963 -46.443604 0.003435551664907166 0.0007005851478320151 0.0011770463032523403 0.00012299374598105403
|
|
174 4 -46.45312682743759 -46.439718 0.003352206859398521 6.681200743118902e-07 0 1.7738214233763467e-07
|
|
175 4 -46.449184796144394 -46.435527 0.0034144490360983326 0.0008657925423413046 0.0009338393866184911 5.636202208109413e-05
|
|
176 4 -46.445141875988355 -46.434787 0.0025887189970887903 0.000884957732934782 0.0011732919500277842 7.007852070820159e-05
|
|
177 4 -46.447851201391124 -46.434929 0.0032305503477818576 0.0010024999553562568 0.0013494917561808224 8.897716431257028e-05
|
|
178 4 -46.436680633597376 -46.426499 0.00254540839934414 0.0009092113658672347 0.0012489379488189155 9.236935183500186e-05
|
|
179 4 -46.44928974422129 -46.437025 0.003066186055322717 0.0006791254335246518 0.0009384188830154686 7.462556028076525e-05
|
|
180 4 -46.43879791463573 -46.428937 0.0024652286589326167 0.0008989419110563859 0.0012863529842154521 0.0001091979515957498
|
|
181 4 -46.45410745971591 -46.442516 0.0028978649289772562 0.0005036271278373663 0.0009485546900416443 0.00014198169493781376
|
|
182 4 -46.440549999840734 -46.428736 0.002953499960183237 0.0007535697010645952 0.001424321592899581 0.00016920328388674697
|
|
183 4 -46.44425960588161 -46.433359 0.0027251514704023094 0.0008908886326182106 0.001276381604380132 0.00010374432037613394
|
|
184 4 -46.45257081520742 -46.438799 0.0034429538018549977 0.0006854672622978098 0.0008186940820599596 3.693276643823055e-05
|
|
185 4 -46.454766566192276 -46.441993 0.003193391548069968 0.0007001708830913594 0.001887735150914979 0.00026731835953797356
|
|
186 4 -46.44945544708626 -46.439033 0.0026056117715640426 0.0006781466134034051 0.0008215680130092699 5.231575791074411e-05
|
|
187 4 -46.44853153747616 -46.436967 0.0028911343690385394 0.0008575232972652666 0.0014823235139469384 0.00018091399492449708
|
|
188 4 -46.437543250923675 -46.427245 0.002574562730918828 0.000876526632278461 0.0012938856209109056 0.00010153953049687449
|
|
189 4 -46.45130192920564 -46.438046 0.0033139823014103342 0.0009900586743456675 0.0016272885423304622 0.00017530798517815852
|
|
190 4 -46.42806566815112 -46.420083 0.0019956670377805352 0.0011576950610902386 0.002395244872659161 0.0003659906458542749
|
|
191 4 -46.460594986962036 -46.445247 0.003836996740508525 0.0006869039167796442 0.0012193309640946546 0.0001280837570763859
|
|
192 4 -46.45902578505976 -46.446044 0.003245446264939389 0.000681906222134576 0.0013053290772828128 0.00014055077331251724
|
|
193 4 -46.44720762657842 -46.434472 0.0031839066446046616 0.0007033250292873526 0.0008323340675474 6.714689660578645e-05
|
|
194 4 -46.456477475606384 -46.44458 0.0029743689015955255 0.0004969728999436705 0.0009744208536356352 8.595927164966554e-05
|
|
195 4 -46.454012915804526 -46.441776 0.003059228951132198 0.00086125120462083 0.0013392318693937952 0.00013998143779525712
|
|
196 4 -46.44930185280824 -46.436389 0.0032282132020604593 0.0010034770614565196 0.0017867411676009484 0.00020411915676529172
|
|
197 4 -46.45986189565361 -46.446416 0.0033614739134026905 0.0004885941608976613 0.0006588778338963909 6.59825378344504e-05
|
|
198 4 -46.465703400780754 -46.449806 0.003974350195187881 0.0009395124110562259 0.002135055034419488 0.0003147147500518221
|
|
199 4 -46.43461846531848 -46.427189 0.0018573663296201914 0.0007681988529087443 0.0010507882755341346 7.240029747401908e-05
|
|
200 4 -46.43616012463116 -46.427857 0.0020757811577887253 0.000764248363190888 0.001487666629322578 0.00018340351320624994
|
|
201 4 -46.45574260518449 -46.44004 0.003925651296121657 0.0005000785447017053 0.0007572027469575109 5.818590202426624e-05
|
|
202 4 -46.44835282563909 -46.437214 0.002784706409773463 0.0007072954143999713 0.001505586264549461 0.00018004417741373144
|
|
203 4 -46.4316155212052 -46.422628 0.002246880301299825 0.000734470599160749 0.0016017134575197897 0.00026161415024113016
|
|
204 4 -46.45731094740751 -46.443535 0.003443986851877412 0.0009771773422903604 0.0015903043733826552 0.0001702045862425962
|
|
205 4 -46.451408658104754 -46.439922 0.0028716645261877005 0.0008658041851341196 0.0015304933845005665 0.00015364490103379896
|
|
206 4 -46.44956962782471 -46.437675 0.0029736569561773507 0.001119442303392538 0.002440246094147064 0.00040760051069269857
|
|
207 4 -46.45838297665336 -46.445558 0.003206244163340699 0.0006753640388018809 0.0011339241597214515 0.00012024341104316983
|
|
208 4 -46.45126804224206 -46.439106 0.0030405105605151306 0.0009894135815249573 0.0018307310015400948 0.0002463350400283389
|
|
209 4 -46.45824710801329 -46.443073 0.003793527003322694 0.00047494029133657274 0.0005766870901971016 2.8811397216717965e-05
|
|
210 4 -46.453581016871176 -46.4397 0.003470254217793567 0.0006954516199672408 0.0012041744059728225 0.00011613050956402969
|
|
211 4 -46.4481560607857 -46.436374 0.0029455151964246085 0.0007321360076183622 0.0014616565944160756 0.00022875618674727725
|
|
212 4 -46.43662351953536 -46.426557 0.002516629883839272 0.000729657987590597 0.0013596242127882248 0.0001256702462881656
|
|
213 4 -46.4448123412711 -46.434009 0.0027008353177748745 0.0008676630899963967 0.0013911311943882213 0.00015482957122388142
|
|
214 4 -46.447286847889295 -46.436262 0.0027562119723238965 0.0011124531993877073 0.002503347159304918 0.00032180781049014924
|
|
215 4 -46.44409607255145 -46.434505 0.0023977681378628546 0.0008656176977165356 0.0010416371729157902 5.025622991778573e-05
|
|
216 4 -46.450927455352584 -46.438768 0.0030398638381452514 0.000845359372781119 0.0010982850267576263 8.722900806410069e-05
|
|
217 4 -46.45107993506001 -46.440254 0.0027064837650012663 0.00048824859004388923 0.000606989291503565 5.8412978643661134e-05
|
|
218 4 -46.43457247582504 -46.42286 0.0029281189562606613 0.00049667016780114 0.0007365242697969973 7.580604737469789e-05
|
|
219 4 -46.42603852417142 -46.418078 0.0019901310428540597 0.0010489724754825706 0.002028412186908765 0.0002481860753818148
|
|
220 4 -46.45342317149027 -46.440513 0.003227542872567213 0.0006995827555518986 0.0011581899671470135 0.0001378524600832539
|
|
221 4 -46.415754937596304 -46.409824 0.00148273439907598 0.000752797798221227 0.0017595738120351758 0.00023929190373046447
|
|
222 4 -46.45492583793704 -46.440329 0.003649209484260396 0.0005005573413496458 0.0009534044262536227 0.00010692991299927382
|
|
223 4 -46.44997363414911 -46.43773 0.0030609085372770295 0.0006817503175220865 0.0009261803280139349 7.406594265392682e-05
|
|
224 4 -46.42531398609048 -46.416525 0.002197246522619878 0.0005574123983667829 0.0007573664898845208 5.9990841901060016e-05
|
|
225 4 -46.45383418829246 -46.440293 0.003385297073116078 0.0006952778567987804 0.0007725386721711737 1.8967911946963413e-05
|
|
226 4 -46.45276775289112 -46.43839 0.003594438222780383 0.0005074067277077454 0.0005612022808221648 1.7048501239034443e-05
|
|
227 4 -46.453714726037816 -46.438916 0.0036996815094543223 0.0006927906701472694 0.0016508785539826967 0.00021608412430474357
|
|
# GSF_110.xyz
|
|
| config | # atoms | energy | DFT energy | energy error | force | DFT force | force error |
|
|
228 24 -278.7394482641272 -279.068761 0.013721363994700178 2.284609699944613 1.7563531607236627 0.047510252222211787
|
|
229 24 -279.9014792191781 -279.784296 0.004882634132421515 0.9481136446472622 0.9057668890923312 0.02409144944865897
|
|
230 24 -279.9930345866255 -279.901657 0.0038073994427302673 0.27939758967002526 0.0015659463592345684 0.011278222106723712
|
|
231 24 -279.632545226909 -279.584238 0.0020128011212060906 1.5733816486747945 1.0355722476061242 0.05514579597642851
|
|
232 24 -279.90148166610373 -279.784283 0.004883277754321587 0.9481032749229742 0.905639618850677 0.02412042536440555
|
|
233 24 -279.1808012499858 -279.302158 0.005056531250592873 2.3891188310718015 1.77196513720784 0.06278114776231734
|
|
234 24 -279.58906859374673 -279.55564 0.0013928580727811852 1.9510647864615391 1.4056265063522388 0.053729155543212795
|
|
235 24 -279.01008912227275 -279.246939 0.00986874490530217 1.5761033565987137 0.48139641510505654 0.08186316533504932
|
|
236 24 -279.180805223264 -279.302157 0.005056324030668691 2.3891166582979673 1.7719533466996242 0.06278160947039779
|
|
237 24 -279.010237550983 -279.246935 0.009862393709042294 1.5752856730208205 0.4809484797522494 0.08192552372310674
|
|
238 24 -279.99300016852726 -279.896025 0.004040632021968804 0.2807267797813188 0.010605498385271668 0.011260870017975419
|
|
239 24 -279.63280515076383 -279.584237 0.0020236729484940006 1.5722786889702327 1.035836120943849 0.055112236849271565
|
|
240 24 -278.86075007913513 -279.124427 0.010986538369370654 2.385274718911283 1.8095458871694858 0.06238817085539673
|
|
241 24 -279.29190591776256 -279.379366 0.003644170093226743 1.7789672531376568 0.898269270570913 0.07654340673935531
|
|
242 24 -279.2918490653305 -279.37937 0.003646705611229114 1.7789303299956392 0.8980813549985325 0.07655044296536662
|
|
243 24 -278.86074782948805 -279.124427 0.010986632104665736 2.3852742697444236 1.8095233743624317 0.06238403429642229
|
|
244 24 -279.9930345866628 -279.901657 0.0038073994442839876 0.27939758782293356 0.001570374477632644 0.011277603354436248
|
|
245 24 -279.906113934391 -279.79264 0.004728080599624225 0.8363547178209557 0.8392614851641887 0.024245212186791376
|
|
246 24 -279.9930001684902 -279.896025 0.004040632020424558 0.28072678164049 0.010602432928342438 0.011261323628011086
|
|
247 24 -278.8969699359102 -279.206496 0.012896919337075966 1.3891331821982829 0.005326518562813801 0.06646589330975798
|
|
248 24 -279.58907303106565 -279.55564 0.0013930429610695683 1.9510569003783997 1.4056318995939159 0.05372827895559917
|
|
249 24 -279.9061247389703 -279.79264 0.004728530790427972 0.8363685621980315 0.8392625707893806 0.024247523826090123
|
|
# GSF_112.xyz
|
|
| config | # atoms | energy | DFT energy | energy error | force | DFT force | force error |
|
|
250 30 -345.14502195022357 -345.175835 0.0010271016592146983 2.717319489152557 1.0573953217004513 0.13920386007750543
|
|
251 30 -346.8222185513718 -346.361714 0.015350151712393274 1.6322373460751187 1.2202849393785045 0.10106307973790722
|
|
252 30 -346.30710275031095 -345.795524 0.017052625010364864 2.436246625876663 2.112860875265572 0.11715933931519641
|
|
253 30 -344.8860137220869 -345.164602 0.00928627593043719 3.3147787594474 1.765832198707454 0.15759677454835117
|
|
254 30 -346.96761301055517 -346.593523 0.012469667018505486 1.3282251193197405 0.011488671289579136 0.0867336500851498
|
|
255 30 -346.7947214963287 -346.396186 0.013284516544289696 1.7437079249642928 0.9954683928312341 0.09785709734881007
|
|
256 30 -345.096350906998 -345.319406 0.0074351697667339066 3.7551265090865806 1.7720408520962492 0.18048991544121312
|
|
257 30 -345.64880337500813 -345.594794 0.0018003125002716538 3.4299601747601534 1.516014156909493 0.1669272517818281
|
|
258 30 -346.2857188899105 -345.98566 0.010001962997017699 2.70766559165893 1.4062522652198646 0.1355673480732933
|
|
259 30 -345.7073698345516 -345.383994 0.010779194485055162 2.4642377687027035 0.9635743079908264 0.13377912589725208
|
|
260 30 -346.9672413421238 -346.582564 0.012822578070794559 1.3289966076477433 0.012674058702720292 0.08673654736722677
|
|
261 30 -345.3320821559902 -345.452139 0.004001894800326985 4.516038353512797 2.7877194059915715 0.1519621204488193
|
|
262 30 -346.9676198368142 -346.593523 0.01246989456047345 1.3282094309719545 0.011488340001932391 0.08673288194166118
|
|
263 30 -345.5947013210415 -345.281949 0.01042507736805002 2.9241150179243016 1.8731426858085318 0.13002077677001309
|
|
264 30 -346.1583458918586 -345.928661 0.007656163061953217 3.427695978201919 2.1008744724980595 0.13299941725317038
|
|
265 30 -344.68524677262343 -345.111657 0.014213674245885008 4.88043659467334 3.3580683192526024 0.15177997034935187
|
|
266 30 -346.81494160965235 -346.367123 0.014927286988411954 1.7009938744781619 1.3357971308825305 0.10138601874574858
|
|
267 30 -346.96719130418785 -346.582565 0.012820876806262049 1.3289846806746266 0.012547437347920888 0.08673752903468834
|
|
268 30 -344.52988158734075 -344.91356 0.012789280421975491 4.310110669903826 3.4418344030629946 0.1293852010761534
|
|
269 30 -346.34821932697207 -345.836703 0.01705054423240237 2.178096014015593 1.6087691475914125 0.11778997995627043
|
|
270 30 -344.91481192932747 -344.984307 0.0023165023557510265 3.519866142301296 2.542628781803588 0.12205494188374943
|
|
271 30 -346.78546253076996 -346.393931 0.013051051025665098 1.9419773234373137 1.211680725041048 0.09899560094542968
|
|
# Liquid.xyz
|
|
| config | # atoms | energy | DFT energy | energy error | force | DFT force | force error |
|
|
272 100 -1104.744380066727 -1105.601723 0.00857342933273003 31.159377156584174 31.398538862958276 0.5823254414048455
|
|
273 100 -1098.996343842682 -1099.673012 0.00676668157317863 34.326327479765226 32.03167217885341 0.6352150943977897
|
|
274 100 -1123.7499008420446 -1121.31506 0.024348408420446502 23.69893266768996 20.81076453205443 0.4839981393744366
|
|
# Surface.xyz
|
|
| config | # atoms | energy | DFT energy | energy error | force | DFT force | force error |
|
|
275 24 -279.99300045245474 -279.911828 0.0033821855189467933 0.28072705034358836 0.00275309353273731 0.011629153035598819
|
|
276 48 -551.0944516418825 -555.359452 0.088854174127448 6.531048639992601 0.003020630397781231 0.19462147973926525
|
|
277 40 -458.2093417501836 -459.216162 0.025170506245409285 5.604001977085872 5.046136400330455 0.10969248573679063
|
|
278 40 -459.8569274562127 -461.144076 0.03217871359468205 2.687848596752146 0.005582740008275506 0.08164260431300514
|
|
279 24 -279.8962710149726 -279.635146 0.01088020895719192 1.2363350278275564 1.2887998367287297 0.008642248465005645
|
|
280 30 -346.96761341214835 -346.592525 0.012502947071610985 1.3282243314109379 0.008446203407448815 0.08667751959066534
|
|
281 30 -345.8876968519375 -345.744506 0.004773028397916808 3.9916281957949242 3.1249613669778387 0.08608541917863781
|
|
# Volume_A15.xyz
|
|
| config | # atoms | energy | DFT energy | energy error | force | DFT force | force error |
|
|
282 8 -66.46730818499465 -66.990732 0.06542797687566804 1.1053787779345083e-14 0 1.985101897676126e-15
|
|
283 8 -72.67688677982622 -72.957807 0.03511502752172291 2.3587285352326952e-14 0 4.096404928229565e-15
|
|
284 8 -94.20689135103319 -94.145745 0.007643293879148416 1.363328713660371e-14 0 1.7107090489852588e-15
|
|
285 8 -94.43959930707332 -94.554682 0.014385336615834632 5.886633469000236e-15 0 9.920161584169167e-16
|
|
286 8 -79.39843481246052 -79.438363 0.004991023442434184 2.8070730870328015e-14 0 3.966734348400299e-15
|
|
287 8 -69.38881649146647 -69.627817 0.02987506356669023 5.016306282382881e-15 0 7.946840523594586e-16
|
|
288 8 -83.05446756026029 -82.604907 0.056195070032536876 6.34257130730044e-15 0 9.831545300098554e-16
|
|
289 8 14.369139618131715 14.89048 0.06516754773353561 5.187645026193684e-14 0 7.984390058835e-15
|
|
290 8 -94.1337063864136 -94.367599 0.029236576698298933 1.7537393601576784e-14 0 2.4415969373601324e-15
|
|
291 8 -89.38604869773955 -89.248227 0.017227712217444235 6.851120330857e-15 0 1.038232000372119e-15
|
|
292 8 -87.49613314636248 -87.211997 0.03551701829531062 5.5837631060299306e-15 0 9.345822726825048e-16
|
|
293 8 -93.4213254203573 -93.66897 0.030955572455336977 2.5646583851599175e-15 0 4.457133859667449e-16
|
|
294 8 -8.052202006596197 -7.989166 0.007879500824524599 5.661481218376775e-14 0 8.256615154309902e-15
|
|
295 8 -85.37693467034828 -84.982834 0.049262583793534986 2.335875855917223e-15 0 3.9739623628835357e-16
|
|
296 8 -92.37316599722747 -92.536373 0.020400875346565428 1.7209008067257497e-14 0 2.421095731304964e-15
|
|
297 8 -26.571488012478817 -26.77612 0.02557899844014777 3.748250764894333e-14 0 6.455710776906485e-15
|
|
298 8 -77.9086214387588 -77.544107 0.04556430484485041 7.67607552342309e-15 0 1.0775523991609266e-15
|
|
299 8 -80.55559421459645 -80.114217 0.05517215182455715 6.121342648631331e-15 0 8.94611352590206e-16
|
|
300 8 -41.83480737672583 -42.143041 0.0385292029092712 2.897006026129993e-14 0 4.7451068276653205e-15
|
|
301 8 -91.02064652177584 -91.040671 0.0025030597780197894 4.457582182375037e-15 0 6.925160676389078e-16
|
|
302 8 -84.76860696754039 -84.499231 0.03367199594254977 3.386508626906093e-14 0 6.165713194635399e-15
|
|
303 8 -60.712306613357136 -61.825173 0.13910829833035798 8.543072030139934e-15 0 1.4896215048502508e-15
|
|
304 8 -91.58119533692843 -91.156873 0.05304029211605332 4.1341771377673124e-15 0 6.481450937299386e-16
|
|
305 8 -54.28632784615006 -54.658744 0.046552019231242525 8.613111996286292e-14 0 1.4768851772562794e-14
|
|
306 8 -72.29250987751412 -72.277255 0.0019068596892655165 1.5559231823455468e-15 0 2.362837934570076e-16
|
|
307 8 -75.14362522582594 -74.923334 0.027536403228243245 5.111650258350395e-15 0 8.95026963422992e-16
|
|
308 8 -64.41770167117421 -64.798066 0.047545541103223954 1.0273843805058096e-14 0 1.651167628550591e-15
|
|
309 8 -93.30049446898211 -93.048342 0.03151905862276294 2.1956623153577177e-14 0 3.025642345173829e-15
|
|
310 8 -63.563373795929124 -64.38702 0.10295577550886037 4.998863749425153e-15 0 7.971957873923833e-16
|
|
311 8 -88.81213089831415 -88.352871 0.05740748728926981 8.90407385212472e-15 0 1.61907524424502e-15
|
|
# Volume_BCC.xyz
|
|
| config | # atoms | energy | DFT energy | energy error | force | DFT force | force error |
|
|
312 2 -16.38921524075742 -16.763625 0.18720487962129084 7.83081154346659e-16 0 2.9605947323337506e-16
|
|
313 2 16.196246484565915 16.314145 0.058949257717042514 9.053111181922929e-14 0 3.598336906218691e-14
|
|
314 2 -21.242304449049605 -21.209071 0.016616724524801896 1.7549836550981734e-15 0 5.643639365169443e-16
|
|
315 2 -15.805603049636694 -15.780524 0.012539524818347303 1.945561094872198e-14 0 7.318075543697825e-15
|
|
316 2 -19.055415658752654 -19.002205 0.02660532937632709 5.597140480009362e-15 0 1.6849042449789402e-15
|
|
317 2 -22.67415824410836 -22.620568 0.02679512205418 2.189306249156685e-15 0 8.442320916420462e-16
|
|
318 2 4.042473603545314 4.096885 0.027205698227342978 1.4765209712183106e-14 0 5.1810407815840636e-15
|
|
319 2 56.21038667994143 56.26276 0.02618666002928549 2.070779820951572e-13 0 8.207890515755341e-14
|
|
320 2 -22.558104169957545 -22.585113 0.013504415021227345 4.168514163372771e-15 0 1.6838382540148207e-15
|
|
321 2 -21.759976411964082 -21.795501 0.01776229401795959 8.106338859342884e-16 0 3.006854025026466e-16
|
|
322 2 33.307627449293435 33.110078 0.09877472464671655 4.183921850663435e-14 0 1.283290603411776e-14
|
|
323 2 -20.82156898310863 -20.885998 0.0322145084456853 7.641609510686933e-16 0 2.4054832200211723e-16
|
|
324 2 -23.552386060110592 -23.601336 0.024474969944703773 1.5333197948530915e-15 0 5.435105490669834e-16
|
|
325 2 -23.171474216644864 -23.207313 0.01791939167756773 9.68557007129706e-16 0 3.588984219049199e-16
|
|
326 2 -19.781756815173758 -19.898089 0.05816609241312065 6.3884437019230104e-15 0 2.5754861206668997e-15
|
|
327 2 -23.450283636172365 -23.405474 0.022404818086181777 1.0170274090492693e-15 0 3.7238730617635457e-16
|
|
328 2 -4.653024677511229 -4.781324 0.06414966124438548 1.4676412241375615e-14 0 5.3678126758309e-15
|
|
329 2 -18.675358793243003 -18.864936 0.09478860337849859 8.120581339769891e-16 0 3.0531133177191805e-16
|
|
330 2 -17.53441810891511 -17.813086 0.13933394554244494 8.78695234256362e-16 0 3.1687615494509675e-16
|
|
331 2 -11.0483801513822 -11.197201 0.07441042430889944 1.0446597528639109e-14 0 3.7215600971289104e-15
|
|
332 2 -23.684909656000414 -23.696705 0.00589767199979363 2.283980862694032e-15 0 7.3075226425523e-16
|
|
# Volume_FCC.xyz
|
|
| config | # atoms | energy | DFT energy | energy error | force | DFT force | force error |
|
|
333 4 -19.133479218625236 -19.075994 0.014371304656308759 9.593316011354048e-15 0 2.1263994164280367e-15
|
|
334 4 -35.26070621024986 -34.873619 0.09677180256246487 6.725611508826881e-16 0 1.6356996775564644e-16
|
|
335 4 -43.93366452938526 -43.950003 0.004084617653685285 8.5442483637427725e-16 0 2.1684043449710089e-16
|
|
336 4 -41.03690481093109 -40.991909 0.011248952732772821 2.4001589206779247e-15 0 5.52292586664116e-16
|
|
337 4 -43.4224278251644 -43.453929 0.007875293708901054 3.046810170194229e-14 0 8.722498239548503e-15
|
|
338 4 -42.6738078115537 -42.686077 0.003067297111574163 1.7259794657440905e-15 0 4.561599940370679e-16
|
|
339 4 -33.588538118296654 -33.224653 0.09097127957416262 1.0457447790331386e-15 0 2.369343147604989e-16
|
|
340 4 -27.011636579407583 -26.862709 0.03723189485189593 6.18655928198706e-15 0 1.3353357964420668e-15
|
|
341 4 -25.59009146836177 -25.519883 0.017552117090442465 2.528772284819897e-16 0 6.158268339717665e-17
|
|
342 4 3.441881800041862 3.463071 0.005297299989534432 3.1183431980618836e-14 0 6.509549843602969e-15
|
|
343 4 -31.907218210968992 -31.59595 0.07781705274224837 9.20783638955358e-16 0 1.989149585786739e-16
|
|
344 4 -45.06026254993194 -45.100466 0.010050862517013925 2.9840538209176434e-15 0 6.838574102910763e-16
|
|
345 4 -46.03951745043139 -46.052258 0.0031851373921529813 1.944079453845833e-15 0 5.019133257159562e-16
|
|
346 4 -30.24296844925135 -30.001189 0.06044486231283752 1.7722091589700058e-15 0 4.711219840173678e-16
|
|
347 4 -22.95808404960374 -22.8504 0.02692101240093514 1.8934131263892215e-16 0 4.5608771389223555e-17
|
|
348 4 -9.129806457155484 -9.164691 0.00872113571112898 1.7909633989855254e-14 0 4.636500240453219e-15
|
|
349 4 -24.217621737604965 -24.150343 0.016819684401241375 2.4613519417818124e-16 0 5.406554833461049e-17
|
|
350 4 -46.44757243312121 -46.426795 0.00519435828030268 3.2958796497031452e-15 0 9.286553008062508e-16
|
|
351 4 -28.620710201509127 -28.451145 0.04239130037728156 8.040165741248596e-15 0 2.309712028118286e-15
|
|
352 4 40.31514224640406 40.341566 0.0066059383989856 5.358071498101812e-14 0 1.3065781931683647e-14
|
|
353 4 19.512005120958225 19.617912 0.026476719760443856 1.8866884554672635e-14 0 4.592395554055447e-15
|
|
354 4 -27.06317231199311 -26.954384 0.027197077998277308 5.432898032404385e-16 0 8.630249292984615e-17
|
|
355 4 -46.368171635195324 -46.323696 0.011118908798831484 2.4837944951944823e-15 0 6.788551202655905e-16
|
|
356 4 -45.87280132359472 -45.828947 0.010963580898680547 1.3783794434545257e-15 0 3.4116228360877205e-16
|
|
357 4 -38.471378511446545 -38.16029 0.07777212786163545 2.2440671467557913e-15 0 5.432575685600701e-16
|
|
358 4 -33.067647344538706 -32.919741 0.036976586134676026 1.1101755762136645e-14 0 2.81155307368941e-15
|
|
359 4 -41.345129545440535 -41.272675 0.018113636360133967 2.4161668667659402e-15 0 6.171753104237954e-16
|
|
360 4 -39.958286558777615 -39.753322 0.05124113969440458 1.4503996776009613e-15 0 3.7296560027457273e-16
|
|
361 4 -37.661968988707734 -37.547435 0.02863349717693353 3.4461892970338166e-15 0 7.600257229123386e-16
|
|
362 4 -36.89708070676268 -36.52595 0.09278267669066942 1.5249425619803067e-15 0 3.548232309820894e-16
|
|
363 4 -45.03333642217127 -45.016087 0.004312355542817059 1.160321249373725e-15 0 2.821816854255606e-16
|