183 lines
16 KiB
Plaintext
183 lines
16 KiB
Plaintext
# Neural networks weights generated in PyXtal_FF
|
|
# total_species nparams
|
|
1 785
|
|
|
|
# NET ndescriptors nlayers activation_func for layer 1, number of nodes for layer 1, ..., ..., ....,
|
|
NET 30 3 tanh 16 tanh 16 linear 1
|
|
|
|
# Scale0
|
|
882.1455698558184 0.0000000000000 0.0000000000000 5.8841777702371 5.7517799958383
|
|
-3238.9045671946642 -251.4215568867158 -178.2481266736228 -179.1034402268287 -221.9598950116207
|
|
90.0327111887464 0.0000000000000 0.0000000000000 1.0415952549641 2.1678474306880
|
|
-322.3587241302986 -75.7646415488627 -76.7145786721378 -129.0677794487796 -112.8987161484017
|
|
-245.1898929301280 -74.2072298868271 -80.7839875646899 -88.2638908840287 -72.5147728162335
|
|
0.0000000611830 0.0000000000000 0.0000000000000 0.8210754495092 0.8535996334201
|
|
|
|
# Scale1
|
|
5596.5949073820930 631.6650003257006 507.4436535576392 526.9938853932412 578.4408280351018
|
|
2946.1154148172673 387.1899445036270 289.3330986716401 400.3133327930956 344.7757780648306
|
|
1791.3334649717744 229.6824470442407 282.7126942391381 295.8232977577057 213.4074061628525
|
|
702.0628109646157 116.5739852500949 94.8723519732492 161.8196514838781 125.3225027894728
|
|
336.8056307932885 81.6558752026350 86.1654467256720 94.0311967431067 81.3402101281388
|
|
36.4668951370478 29.7270744697909 30.5640947358207 43.8634527339667 37.3463021205072
|
|
|
|
# Coefficients (Si)
|
|
0.3685385859286 -0.7362089264023 0.2715981065192 -0.1163322715384 0.3075404404972
|
|
-0.1610935909884 0.0015719318101 -0.5946522948990 -0.1053262271503 0.0880530740557
|
|
-0.1994084791015 0.5117820573250 -0.3213661835683 -0.0937083715377 -0.2683319723078
|
|
-0.2532296010987 -0.5584453847766 -0.1042993171458 0.1662189986326 0.1082297339321
|
|
0.4454372211944 0.7546740467117 -0.4766645580419 -0.6032704524575 -0.5618001207332
|
|
-0.3428319344940 0.0260954348575 -0.1489788544525 -0.1717162356069 -0.2914269918301
|
|
0.1840607080241 -0.0255899000658 1.0924323643612 0.4260148927592 0.1239175432774
|
|
-0.9116368030807 -1.2975392383857 0.2389860982057 0.5160804882868 0.1210706506477
|
|
-0.1473192701817 0.8192625410393 0.2152596573607 0.1358353711302 0.6717634613131
|
|
-0.2315709284550 0.1741413084117 -0.0099955470754 0.2616483846714 0.3912502053220
|
|
0.8749951208333 -0.0431582056181 0.0102692478410 0.1186685028545 0.1946870540726
|
|
0.4036277185047 0.5928075256653 -0.4496293441759 0.9264124791852 0.1716675841982
|
|
0.2708051872856 0.4463867931709 -0.4957162076397 -0.0746578010730 0.0073625462495
|
|
0.0092517223471 -0.0415038367188 0.0045399774768 -0.2776779881357 -0.3091863908603
|
|
-0.1016267540100 -0.0784091348819 -0.0203494059243 -0.2990856988363 0.2401024708934
|
|
0.0708936055962 0.1431336258523 0.1858443893117 -0.2816923101943 -0.2910022130389
|
|
-0.3135572060018 -0.1521378607704 -0.2453897063581 -0.2726430057341 -0.2421602698082
|
|
-0.3128029713546 -0.1827056998260 -0.3901520035262 -0.1324626884016 0.1607549950922
|
|
-0.1272025961543 -0.2662529289302 -0.2001902105085 1.3322746230916 -0.8843714935272
|
|
0.0610990084591 -0.2018171772711 -1.2055303456803 -0.2325866875488 0.1081275282523
|
|
-0.1491391559555 -0.5520812407412 -0.0640761380549 0.6765175020195 1.2206531572117
|
|
0.1078375642360 -0.1028473414486 0.6249292293014 -0.2018181367134 -0.4251848300159
|
|
0.0381912209677 -0.2839240973504 0.6938189551207 0.4475271058663 1.2439556871932
|
|
0.0958715552130 0.0848914643322 0.0359333433729 -0.1426658987523 0.3878612432265
|
|
-0.0884002830699 0.2461842525732 -0.3855417641638 0.3610547974928 1.2000221012044
|
|
-0.7619489325768 0.1922710798231 0.2013011272099 0.2597940390654 0.1663268357305
|
|
0.1773185099443 -0.3741158312170 -0.0338525225587 0.2549708021742 -0.0810650986302
|
|
0.1224230230427 -0.1934990255791 0.0495785029249 -0.0618816297472 -0.2746687250995
|
|
0.5713036318631 -0.0364995002901 -0.1983132283451 -0.3268392300109 -0.3482902774445
|
|
0.6538801814102 -0.4113836580166 -0.2305353676706 -0.5778250045389 -0.3598740944450
|
|
0.2736443710983 -0.1128910933430 -0.0919988917993 -0.4368560396096 -0.2305403790951
|
|
0.6649323339792 0.0709828831945 -0.0033436631396 0.1057717177900 -0.1460299227050
|
|
-0.1389142008027 -0.1475847298953 0.0780163595712 0.0258466155780 -0.1789616940560
|
|
-0.0373947792796 0.2148420813297 -0.0431798011847 -0.0146104312043 -0.1480239599857
|
|
-0.0847080878942 0.2039926538485 -0.2010381944098 -0.2668431937612 -0.3216515425436
|
|
-0.2596890571364 0.4936195382822 -0.1860180745114 -0.2074354118557 -0.2416732831209
|
|
-0.2666376819098 -0.0908097400915 -0.1289920784494 0.0335866638839 -0.2518965413050
|
|
0.0674487132870 0.8915640476571 0.7651062195186 -0.1737237449531 -0.4109639542841
|
|
0.1298528884941 0.4157590846198 -0.4396218718418 0.4188550271970 -0.0968598586540
|
|
0.4380015939459 0.5274261605942 0.4817745745905 -0.1670330165165 0.0672294110689
|
|
-0.1621708597271 -0.1891426446188 -0.5498956343431 -0.2262600980463 0.5589639856567
|
|
0.1239520142574 0.3232100994997 0.9701165829357 -0.4243827247698 -0.1907722239427
|
|
-0.3252703454469 -0.2813430915954 -0.0354802312175 0.2331764896939 -0.1601162478960
|
|
0.3928971102942 0.3584634396318 -1.6846550738145 0.5632377845138 0.3377503176471
|
|
-0.0405972283898 -0.1126722368764 0.1169922293148 0.2868564429577 0.2054722348762
|
|
0.0146227932877 0.4210830438308 0.3900767602931 -1.6796713374215 -0.0141085808126
|
|
0.0267583172940 0.1747450657015 -0.0869382873339 0.2294135521442 0.3500471271637
|
|
0.3153816845778 0.5203183486326 0.2344264371423 -1.0952287735043 0.0360401196553
|
|
0.3766505356391 0.0690211828188 -0.1291720195852 -0.1391378659197 0.1277323633603
|
|
0.4358883412432 -0.0930214078514 0.2296762696431 0.3657489953416 0.4448481207998
|
|
-0.2970278559470 0.0082107225834 0.4729868874967 -0.0322408769252 -0.2567544388038
|
|
-0.0394079478990 -0.3276878648768 0.1190393086387 -0.4630355455104 0.1903764089070
|
|
-0.0686929963287 -0.2700398391081 0.1630763502798 0.0039653039953 0.5471048363965
|
|
-0.2121672830401 -0.1387310526842 -0.4748692221685 -0.2179131043939 0.1791359553141
|
|
-0.0691481047346 0.0364693118101 -0.1074750293966 -0.0280347427886 -0.0531915291890
|
|
-0.0027278735969 0.0472166196619 0.0639748960102 -0.2149691753932 0.1703765335668
|
|
-0.8365293274490 -0.2036299287295 -0.3024336780502 0.6313286341753 0.4324479854633
|
|
-0.2212564442055 -0.1902989818823 -0.5341896432760 0.2063449670623 0.1972911567449
|
|
0.1952633938886 -0.2248277867577 -0.4015108017380 0.0682928813456 0.1196456983654
|
|
1.0593448000443 -0.2011051575189 -0.1122540932884 -0.7191699683672 -0.5961212611454
|
|
-0.2982400656862 -0.1475683720679 -0.0478394860059 0.0495651850840 -0.2362850664368
|
|
-0.4559405422384 -0.0692926624755 -0.0148035961730 -0.3522265422434 -0.6042574163050
|
|
0.1875123361167 0.5036468057014 0.2489867456544 0.1906756848081 -0.2642126398248
|
|
-0.6311635481053 -0.2129877266597 0.2904008152973 0.1018749064853 0.0181960006954
|
|
0.1945223832919 0.6415511824798 0.3522432230794 0.5854281319088 0.4379170307822
|
|
0.1648737245668 0.7394444442469 -0.3829009998903 0.0560041245747 0.1579916169815
|
|
0.2501615866544 -0.3289091242248 0.5711076100448 0.3588275108163 0.3369828604279
|
|
0.2195478789498 0.2864203320072 0.1841745961074 -0.1113560909355 -0.4174258027241
|
|
-0.2575966532337 0.4461193139074 0.3595341872731 -0.1382070858505 -0.0159911642453
|
|
-0.1567014153427 0.0806357834131 -0.2494555963476 -0.2182530605791 -0.0961148334151
|
|
-0.3785090354048 0.0767693764145 0.4786604486863 0.1568926643890 0.0566623778208
|
|
-0.3094365663166 -0.1083766919037 -0.2986844651899 0.2345767514997 -0.0059661611070
|
|
0.1902232250425 0.3007396332837 0.4012532609389 -0.0776601524775 0.0887931786695
|
|
0.4013405289830 -0.0921550476990 -0.3615563850377 -0.0073781054302 0.1676596752198
|
|
-0.2268566003739 0.2596695961758 0.1563055924178 -0.8119493930685 -0.0342191707597
|
|
0.0870489501782 -0.2974632450281 0.1306968350832 0.1784678031175 -0.4884028995396
|
|
-0.1023409886934 0.0559531100516 -0.3279385032663 0.2928797561194 -0.0716663805949
|
|
-0.0190349957267 0.0613799053730 -0.4339274961167 -0.7006893315445 -0.2182992907551
|
|
-0.2609681405818 -0.0185885459265 0.1742618542683 0.8278105797262 -0.5688268645217
|
|
-0.4792864876608 -0.7316222338308 -0.4475501847008 -0.1582773880609 -0.1305552697648
|
|
-0.2538086608846 -0.1678664635166 0.2462902787707 -0.5492441534695 -0.3128240729465
|
|
0.1049857923344 -0.0330704910625 0.0956870561308 -0.1972193315073 -0.1048020498956
|
|
-0.1061682562857 -0.1047593924707 -0.2964507520524 -0.2578017048300 -0.4019070165651
|
|
0.0393263343754 0.1406195106286 -0.0853062790799 -0.0047225654714 0.0761059325935
|
|
-0.1435354639704 -0.3039719120447 -0.1568669592638 -0.1740003982441 -0.5880253498919
|
|
-0.0489572853307 0.0220457298206 0.0868809611978 -0.1265508169263 -0.0800482390698
|
|
-0.1234524026091 -0.0121219049785 -0.3047835841705 -0.3699741347267 -0.3479025131708
|
|
-0.2237103203199 0.0309776473568 0.1054531715636 -0.2456114999955 0.0171740317434
|
|
-0.1534204498368 0.0015393121406 -0.0391843066781 -0.1615841309991 -0.2673244607112
|
|
0.0214007124664 -0.1339223667613 0.0543227945322 -0.1687852155448 -0.0804620409308
|
|
-0.1724371034281 -0.1384011520847 -0.0833851773924 -0.2328384556197 -0.2024054789816
|
|
-0.2320102698623 -0.0455728305404 -0.1232310117814 -0.1415638175694 -0.0587450191320
|
|
0.1245671209481 -0.0456711386439 -0.1264329406955 -0.1111747027193 -0.0094711310831
|
|
0.8746357449946 0.0015891946774 0.2237765838820 -0.2115611671441 -0.4005773679195
|
|
-0.2186188633684 -0.1453645274652 -0.2036514323290 -0.0298211838719 -0.2351411896292
|
|
-0.3870269527221 0.5250721712499 -0.1455085902255 -0.1891590874126 -0.2531338044708
|
|
-0.3623391871451 -0.1455624668322 -0.2637835432189 0.0967268579861 0.1262091023974
|
|
0.0991503171882 0.8407894741334 -0.1888506108661 0.0271133642332 -0.4138397980861
|
|
-0.4048449242738 0.1827704696781 -0.0706675535582 -0.0502436125664 -0.1042334268383
|
|
0.1707949370808 0.3284897275196 0.0818957864931 0.0392814721250 -0.1833387659320
|
|
0.0893216359566 0.0763231106540 -0.1839596412801 -0.0344947879819 -0.0792812914101
|
|
0.1444554612643 -0.0993219107507 0.0649589561109 -0.0966764437673 -0.0391474257378
|
|
-0.0718042907276 -0.0510326987528 0.0874954020808 -0.2550973591885 -0.0126974836540
|
|
0.1795275097906 0.1101543183550 -0.0995485499980 -0.1751275503398 -0.0359731228901
|
|
-0.1452836760264 -0.0541032661164 -0.2716642394681 -0.5104540803432 -0.0566481480266
|
|
0.0817172135540 -0.1122245807885 0.0297482550722 -0.0749316464476 -0.0204811962607
|
|
-0.0639507960267 -0.1668705387068 0.3722759373542 0.2136526553985 0.0150012303106
|
|
0.0603997328772 -0.1097567029358 0.1397793930764 -0.0040445558669 -0.1154439955295
|
|
-0.3701591631754 -0.0595312646604 0.1651745572528 -0.1602767026376 -0.1626919630315
|
|
-0.0675007240727 0.1734640638880 0.1277542922121 -0.0192996025061 -0.1440538146222
|
|
-0.1247820904688 0.0302035441708 0.1316686798346 0.1643643009318 0.0539896790809
|
|
0.1625339645675 0.1823539567496 0.3634460144592 0.1207046199949 0.0578686179836
|
|
0.0941689295993 -0.1237971505306 0.1491810141483 -0.0770705141179 -0.2065595244990
|
|
0.0089263397707 0.0961014773091 0.2140364206986 -0.2163708468276 -0.2097652590745
|
|
-0.1637721527497 0.0204393073684 -0.0106139043140 -0.0506018331394 0.1608831823069
|
|
0.0653020745598 -0.1954829098091 -0.0307611137052 -0.0115378469285 -0.1461047931131
|
|
0.0035523460907 -0.5402468972430 -0.4333734271909 0.3871808991651 0.3982942968667
|
|
-0.8733108214666 -0.6905546696240 -0.8806423587757 -0.3197354220301 0.6231176926895
|
|
0.1388604007147 -0.1367318985738 -0.1411949712371 -0.2705802320621 -0.3449665135980
|
|
-0.0081040886406 -0.0965179875103 -0.4439740653898 -0.4248582686136 -0.0004104724442
|
|
0.0053370201369 0.2980657389484 0.0334502122417 0.0819999333318 -0.1169849309797
|
|
-0.1596767695407 0.2136850755282 -0.2621010345049 -0.0869758529020 -0.3184408121493
|
|
-0.1206579399187 0.1995314696923 -0.1617366359012 -0.1124458838619 -0.2696291568413
|
|
-0.2029138009744 -0.2026416870784 0.0510599783777 0.1692934578713 0.0844396492460
|
|
-0.1751769965838 -0.1534795159321 0.2127885250648 -0.0856561690561 0.1907353848099
|
|
-0.0138361532750 -0.0480655789029 -0.1272012046007 0.0416270201558 0.2065976758082
|
|
0.0988493595194 -0.0176964082905 -0.4744037719779 -0.2949523315253 0.3118705497400
|
|
0.1489691439304 -0.4569175538330 -0.4644897009341 -0.4686168623570 -0.1243054728558
|
|
0.5732171519706 0.1904896053219 -0.2103352434311 -0.3795352101730 0.0574951703103
|
|
-0.3815644383174 0.0985307776878 -0.0259340090039 -0.2085191025194 0.2110201228876
|
|
0.2340052956771 -0.3498732231605 -0.0988402172947 -0.1940790287983 0.2660742157027
|
|
0.0798252876458 0.2279218829521 -0.3316405856822 0.7115928862830 0.7723969088612
|
|
0.3349444713400 -0.0497704006667 0.1887612653901 0.1279612878363 0.1974428443251
|
|
0.0658477720105 -0.2305151128541 -0.1247363598405 0.1178605543768 0.3570210956889
|
|
-0.1204677179984 -0.3879495282948 -0.1219409546575 -0.3573611388182 0.3281661470559
|
|
-0.1902806689623 -0.2716112953705 0.0830330364636 -0.1578261726584 -0.0994840276723
|
|
0.1897574923466 0.0992230533211 0.1276570722926 -0.4546854120255 -0.1836046126462
|
|
0.1539256939837 0.0387381375615 -0.1707388754077 0.3056841191317 0.1034545056807
|
|
-0.1189619476757 0.6363824120801 0.1042674354613 0.1333633803582 -0.1622687430124
|
|
-0.0897454482076 0.1708797441326 0.2868923216527 0.0277641973893 -0.1791665666371
|
|
-0.3176474905621 -0.0061446861913 -0.0161385152018 0.1738887663948 0.0208887791735
|
|
-0.0320567148133 -0.0730146550801 -0.0470228989655 0.0834656204265 -0.0233593165817
|
|
-0.2052942640539 -0.0431692803469 -0.2366994435096 0.1849125314854 -0.0643179085590
|
|
-0.0088101155797 -0.2350930514721 -0.2791829346342 0.0945329648928 0.0068964862844
|
|
-0.0712883926756 -0.1754196742000 -0.4150465134868 -0.4320468295210 -0.2447975183043
|
|
0.1960976634210 -0.4307520361914 -0.2063984002846 -0.2480057268925 -0.0820093912801
|
|
0.0660477467766 0.1769199080810 0.0072956097283 -0.0799041994372 -0.2899420838166
|
|
-0.4369141960078 0.7189088286830 0.3163475833145 -0.8137264081246 0.3439733571036
|
|
-0.1878989767113 -0.1104570273397 1.1720380395723 0.1303453425092 0.0366319333275
|
|
-0.5273326142452 -0.3340415625742 -0.1183805290179 0.0253960559615 0.1809779542769
|
|
-0.9338279630235 -0.3338827912382 -0.0414641467582 0.1875909526505 0.2023114370903
|
|
0.1821986225696 -0.4841920377164 -0.3672659774414 -0.2560262915836 -0.1794602414659
|
|
-0.4710940323449 -0.7267786564363 -0.3848973015652 0.0131471778865 -0.1416931043725
|
|
-0.0062759865543 -0.0176786818303 -0.2892970475287 -1.9877373273863 -0.0857983129657
|
|
0.3632455559432 0.2256244524453 -0.3175640453009 0.1235831888525 1.3675895000900
|
|
0.6094018739680 0.0106519517753 1.0631117686475 -1.0188789294824 0.5078419912585
|
|
0.7342404388578 0.1929388215830 0.7192101094887 1.3393750566441 1.2057785028366
|
|
|