forked from lijiext/lammps
42 lines
2.9 KiB
Plaintext
42 lines
2.9 KiB
Plaintext
# DATE: 2021-03-03 UNITS: metal CONTRIBUTOR: Pedro Antonio Santos Florez pedroantoniosantosf@gmail.com CITATION: none
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# Neural networks weights generated in PyXtal_FF
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# total_species nparams
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1 71
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# NET ndescriptors nlayers activation_func for layer 1, number of nodes for layer 1, ..., ..., ....,
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NET 30 3 tanh 2 tanh 2 linear 1
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# Scale0
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98.5564567301067 0.1817576370006 -5.0513436999162 0.0453581866073 -4.4382278670569
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-2.6985391112026 -4.9445068940273 7.8840372041149 -12.8729456412560 -2.9748781222888
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-1.7702149043285 -4.6911979511282 -1.8167140506334 67.7067032503211 -12.5675074252146
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-10.3889411514447 -2.6194029974308 1.8750503488944 -5.0934919399232 4.2037760919263
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20.6488797181668 -8.2381178902428 -3.1311436510232 -1.1570117080256 2.1652328079269
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0.0854872341687 73.5970916724043 -5.3230176040510 -5.3409170596296 -6.4491186818574
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# Scale1
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783.0204659783215 33.6453931227955 7.9068346594951 32.2509031640463 5.6624925894670
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5.6511565657016 8.2175114613285 108.9434600935519 16.3162547782998 6.4485086884047
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9.5767453287024 24.1576638495153 25.1723098340896 202.6741688060115 26.3843102888906
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19.7937707236334 13.9016635198379 14.1399097533048 72.7078614093291 39.8358080634714
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370.1745750951991 21.6864533954642 14.6554778261065 18.6456437491491 43.2946309680355
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68.9168418942695 481.9819429675007 14.5585849595560 61.9026061535013 112.5968384702330
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# Coefficients
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-0.2503221860648 0.4607794046378 0.4080552184108 0.0043328332206 0.2778722163950
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-0.0050555739235 0.0406748042003 -0.1188215011883 0.4669700426246 0.4050949681583
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0.3004118858813 -0.3937378155782 0.5165632847373 0.1381866719908 -0.3996533578004
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0.1330571447244 0.1124773980921 0.1548275555377 -0.6221152970188 -0.7813275942231
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-0.4320969824072 0.2045533448767 -0.1687644566507 -0.0424066840175 -0.1981208883936
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-0.3406471991751 0.1272788573915 -0.1236220514264 0.6482374783971 -0.0590428211363
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0.1326060235944 0.1890472518561 -0.5428894028577 0.0229420637813 0.0750842032804
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-0.2443049940974 0.5265826743321 -0.1802773940492 0.0309737044359 -0.4987806786020
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-0.6233577810656 -0.9910225261357 0.3430680860751 0.2918559145139 0.0666915892882
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-0.2558026088950 0.0417769401952 -0.2582828540822 -0.3685977011673 0.4793473883461
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1.0290706767456 0.0400544448686 -0.1474888333296 0.2403156153173 0.1050109023846
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0.1413378531949 0.0907250056918 -0.1185878739508 0.1471942864979 -0.2829701766758
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0.1137318187684 0.0476123438306 0.8040349098084 -0.5432518550512 0.2312003570779
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0.6886872913686 -0.1247049894693 0.6848986783339 -2.6353147047309 -0.7173579584864
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-1.0543148168289
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