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|
# DATE: 2020-06-01 UNITS: metal CONTRIBUTOR: Mary Alice Cusentino mcusent@sandia.gov CITATION: M.A. Cusentino, M. A. Wood, and A.P. Thompson, "Explicit Multi-element Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems", J. Phys. Chem. A, xxxxxx (2020)
2 241
0.000000000000 # B[0] Block = 1 Type = In
-0.000666721868 # B[1, 0, 0, 0] Block = 1 Type = In
0.032408881964 # B[2, 1, 0, 1] Block = 1 Type = In
0.182277739455 # B[3, 1, 1, 2] Block = 1 Type = In
0.001455902168 # B[4, 2, 0, 2] Block = 1 Type = In
0.086259367737 # B[5, 2, 1, 3] Block = 1 Type = In
-0.044840628371 # B[6, 2, 2, 2] Block = 1 Type = In
-0.175973261191 # B[7, 2, 2, 4] Block = 1 Type = In
-0.052429169415 # B[8, 3, 0, 3] Block = 1 Type = In
0.195529228497 # B[9, 3, 1, 4] Block = 1 Type = In
0.078718744520 # B[10, 3, 2, 3] Block = 1 Type = In
-0.688127658121 # B[11, 3, 2, 5] Block = 1 Type = In
0.059084058400 # B[12, 3, 3, 4] Block = 1 Type = In
0.006795099274 # B[13, 3, 3, 6] Block = 1 Type = In
-0.043061553886 # B[14, 4, 0, 4] Block = 1 Type = In
-0.046619800530 # B[15, 4, 1, 5] Block = 1 Type = In
-0.117451659827 # B[16, 4, 2, 4] Block = 1 Type = In
-0.233615100720 # B[17, 4, 2, 6] Block = 1 Type = In
0.015358771114 # B[18, 4, 3, 5] Block = 1 Type = In
0.022474133984 # B[19, 4, 4, 4] Block = 1 Type = In
0.002165850235 # B[20, 4, 4, 6] Block = 1 Type = In
0.003458938546 # B[21, 5, 0, 5] Block = 1 Type = In
-0.053507775670 # B[22, 5, 1, 6] Block = 1 Type = In
0.120989101467 # B[23, 5, 2, 5] Block = 1 Type = In
0.092637875162 # B[24, 5, 3, 6] Block = 1 Type = In
0.071459233521 # B[25, 5, 4, 5] Block = 1 Type = In
0.086291858607 # B[26, 5, 5, 6] Block = 1 Type = In
0.006749966752 # B[27, 6, 0, 6] Block = 1 Type = In
0.144917284093 # B[28, 6, 2, 6] Block = 1 Type = In
0.055178211309 # B[29, 6, 4, 6] Block = 1 Type = In
-0.005619133266 # B[30, 6, 6, 6] Block = 1 Type = In
0.005430513632 # B[1, 0, 0, 0] Block = 2 Type = In
0.057269488101 # B[2, 1, 0, 1] Block = 2 Type = In
0.320412300575 # B[3, 1, 1, 2] Block = 2 Type = In
0.035481869944 # B[4, 2, 0, 2] Block = 2 Type = In
0.111076763087 # B[5, 2, 1, 3] Block = 2 Type = In
0.039770598731 # B[6, 2, 2, 2] Block = 2 Type = In
0.141315510383 # B[7, 2, 2, 4] Block = 2 Type = In
0.067792661762 # B[8, 3, 0, 3] Block = 2 Type = In
-0.080858457946 # B[9, 3, 1, 4] Block = 2 Type = In
0.258942062632 # B[10, 3, 2, 3] Block = 2 Type = In
0.061756985062 # B[11, 3, 2, 5] Block = 2 Type = In
-0.112424676196 # B[12, 3, 3, 4] Block = 2 Type = In
0.168376857205 # B[13, 3, 3, 6] Block = 2 Type = In
-0.029743698629 # B[14, 4, 0, 4] Block = 2 Type = In
-0.093967263289 # B[15, 4, 1, 5] Block = 2 Type = In
0.137229827290 # B[16, 4, 2, 4] Block = 2 Type = In
0.056897919200 # B[17, 4, 2, 6] Block = 2 Type = In
0.095137344320 # B[18, 4, 3, 5] Block = 2 Type = In
-0.008598816416 # B[19, 4, 4, 4] Block = 2 Type = In
0.038890602482 # B[20, 4, 4, 6] Block = 2 Type = In
-0.034624751006 # B[21, 5, 0, 5] Block = 2 Type = In
-0.282625695473 # B[22, 5, 1, 6] Block = 2 Type = In
0.103089891872 # B[23, 5, 2, 5] Block = 2 Type = In
-0.024380802146 # B[24, 5, 3, 6] Block = 2 Type = In
-0.063847809434 # B[25, 5, 4, 5] Block = 2 Type = In
-0.024896682749 # B[26, 5, 5, 6] Block = 2 Type = In
0.000464369553 # B[27, 6, 0, 6] Block = 2 Type = In
0.082229290277 # B[28, 6, 2, 6] Block = 2 Type = In
-0.008875503360 # B[29, 6, 4, 6] Block = 2 Type = In
-0.009039017094 # B[30, 6, 6, 6] Block = 2 Type = In
0.005430513686 # B[1, 0, 0, 0] Block = 3 Type = In
-0.004352445887 # B[2, 1, 0, 1] Block = 3 Type = In
0.149882860704 # B[3, 1, 1, 2] Block = 3 Type = In
-0.015528472583 # B[4, 2, 0, 2] Block = 3 Type = In
0.558662861756 # B[5, 2, 1, 3] Block = 3 Type = In
0.039770598731 # B[6, 2, 2, 2] Block = 3 Type = In
0.179060667136 # B[7, 2, 2, 4] Block = 3 Type = In
0.034759981675 # B[8, 3, 0, 3] Block = 3 Type = In
0.603083480153 # B[9, 3, 1, 4] Block = 3 Type = In
0.176946655350 # B[10, 3, 2, 3] Block = 3 Type = In
0.165639632803 # B[11, 3, 2, 5] Block = 3 Type = In
0.055627509305 # B[12, 3, 3, 4] Block = 3 Type = In
0.049782791218 # B[13, 3, 3, 6] Block = 3 Type = In
0.036078617029 # B[14, 4, 0, 4] Block = 3 Type = In
0.064493563641 # B[15, 4, 1, 5] Block = 3 Type = In
0.149250535822 # B[16, 4, 2, 4] Block = 3 Type = In
-0.060208330201 # B[17, 4, 2, 6] Block = 3 Type = In
0.105119833648 # B[18, 4, 3, 5] Block = 3 Type = In
-0.008598816416 # B[19, 4, 4, 4] Block = 3 Type = In
0.041210118888 # B[20, 4, 4, 6] Block = 3 Type = In
-0.002705345469 # B[21, 5, 0, 5] Block = 3 Type = In
0.170191392493 # B[22, 5, 1, 6] Block = 3 Type = In
0.226897293272 # B[23, 5, 2, 5] Block = 3 Type = In
0.013009034793 # B[24, 5, 3, 6] Block = 3 Type = In
-0.020734586320 # B[25, 5, 4, 5] Block = 3 Type = In
-0.018139074523 # B[26, 5, 5, 6] Block = 3 Type = In
-0.016001848874 # B[27, 6, 0, 6] Block = 3 Type = In
0.016663324316 # B[28, 6, 2, 6] Block = 3 Type = In
-0.024245533697 # B[29, 6, 4, 6] Block = 3 Type = In
-0.009039017094 # B[30, 6, 6, 6] Block = 3 Type = In
-0.005654800687 # B[1, 0, 0, 0] Block = 4 Type = In
-0.071064263981 # B[2, 1, 0, 1] Block = 4 Type = In
-0.009868049046 # B[3, 1, 1, 2] Block = 4 Type = In
-0.061297753855 # B[4, 2, 0, 2] Block = 4 Type = In
-0.239682636759 # B[5, 2, 1, 3] Block = 4 Type = In
0.015954956116 # B[6, 2, 2, 2] Block = 4 Type = In
0.176005610703 # B[7, 2, 2, 4] Block = 4 Type = In
-0.081125948095 # B[8, 3, 0, 3] Block = 4 Type = In
-0.170847987084 # B[9, 3, 1, 4] Block = 4 Type = In
0.242239715395 # B[10, 3, 2, 3] Block = 4 Type = In
0.082507688294 # B[11, 3, 2, 5] Block = 4 Type = In
0.247785108978 # B[12, 3, 3, 4] Block = 4 Type = In
-0.008194303016 # B[13, 3, 3, 6] Block = 4 Type = In
0.014786217107 # B[14, 4, 0, 4] Block = 4 Type = In
-0.096877379511 # B[15, 4, 1, 5] Block = 4 Type = In
0.164908528605 # B[16, 4, 2, 4] Block = 4 Type = In
0.151575252604 # B[17, 4, 2, 6] Block = 4 Type = In
0.099757230122 # B[18, 4, 3, 5] Block = 4 Type = In
0.035047662350 # B[19, 4, 4, 4] Block = 4 Type = In
0.007150552805 # B[20, 4, 4, 6] Block = 4 Type = In
0.019198319779 # B[21, 5, 0, 5] Block = 4 Type = In
-0.127113932870 # B[22, 5, 1, 6] Block = 4 Type = In
0.114478010571 # B[23, 5, 2, 5] Block = 4 Type = In
0.050915227324 # B[24, 5, 3, 6] Block = 4 Type = In
0.096853268510 # B[25, 5, 4, 5] Block = 4 Type = In
0.067894750884 # B[26, 5, 5, 6] Block = 4 Type = In
-0.002405537661 # B[27, 6, 0, 6] Block = 4 Type = In
0.058549926350 # B[28, 6, 2, 6] Block = 4 Type = In
0.009481237049 # B[29, 6, 4, 6] Block = 4 Type = In
-0.008649958571 # B[30, 6, 6, 6] Block = 4 Type = In
0.005430513686 # B[1, 0, 0, 0] Block = 5 Type = In
0.057269488102 # B[2, 1, 0, 1] Block = 5 Type = In
0.149882860704 # B[3, 1, 1, 2] Block = 5 Type = In
0.035481869944 # B[4, 2, 0, 2] Block = 5 Type = In
0.378916788823 # B[5, 2, 1, 3] Block = 5 Type = In
0.039770598731 # B[6, 2, 2, 2] Block = 5 Type = In
0.179060667136 # B[7, 2, 2, 4] Block = 5 Type = In
0.067792661762 # B[8, 3, 0, 3] Block = 5 Type = In
0.272613304171 # B[9, 3, 1, 4] Block = 5 Type = In
0.258942062632 # B[10, 3, 2, 3] Block = 5 Type = In
0.100130474069 # B[11, 3, 2, 5] Block = 5 Type = In
0.055627509305 # B[12, 3, 3, 4] Block = 5 Type = In
0.049782791218 # B[13, 3, 3, 6] Block = 5 Type = In
-0.029743698629 # B[14, 4, 0, 4] Block = 5 Type = In
-0.013420300314 # B[15, 4, 1, 5] Block = 5 Type = In
0.137229827290 # B[16, 4, 2, 4] Block = 5 Type = In
-0.034447269506 # B[17, 4, 2, 6] Block = 5 Type = In
-0.033847124314 # B[18, 4, 3, 5] Block = 5 Type = In
-0.008598816416 # B[19, 4, 4, 4] Block = 5 Type = In
0.041210118888 # B[20, 4, 4, 6] Block = 5 Type = In
-0.034624751006 # B[21, 5, 0, 5] Block = 5 Type = In
0.041662678638 # B[22, 5, 1, 6] Block = 5 Type = In
0.103089891872 # B[23, 5, 2, 5] Block = 5 Type = In
-0.044572198386 # B[24, 5, 3, 6] Block = 5 Type = In
-0.063847809434 # B[25, 5, 4, 5] Block = 5 Type = In
-0.018139074523 # B[26, 5, 5, 6] Block = 5 Type = In
0.000464369553 # B[27, 6, 0, 6] Block = 5 Type = In
0.082229290277 # B[28, 6, 2, 6] Block = 5 Type = In
-0.008875503360 # B[29, 6, 4, 6] Block = 5 Type = In
-0.009039017094 # B[30, 6, 6, 6] Block = 5 Type = In
-0.005654800687 # B[1, 0, 0, 0] Block = 6 Type = In
-0.001217874195 # B[2, 1, 0, 1] Block = 6 Type = In
-0.009868049046 # B[3, 1, 1, 2] Block = 6 Type = In
-0.092827766060 # B[4, 2, 0, 2] Block = 6 Type = In
0.439274283244 # B[5, 2, 1, 3] Block = 6 Type = In
0.015954956116 # B[6, 2, 2, 2] Block = 6 Type = In
0.176005610703 # B[7, 2, 2, 4] Block = 6 Type = In
0.102468480364 # B[8, 3, 0, 3] Block = 6 Type = In
0.674122225402 # B[9, 3, 1, 4] Block = 6 Type = In
0.072529538087 # B[10, 3, 2, 3] Block = 6 Type = In
0.330711171466 # B[11, 3, 2, 5] Block = 6 Type = In
0.247785108978 # B[12, 3, 3, 4] Block = 6 Type = In
-0.008194303016 # B[13, 3, 3, 6] Block = 6 Type = In
0.052250780232 # B[14, 4, 0, 4] Block = 6 Type = In
0.374231060518 # B[15, 4, 1, 5] Block = 6 Type = In
0.326667869620 # B[16, 4, 2, 4] Block = 6 Type = In
0.079031873518 # B[17, 4, 2, 6] Block = 6 Type = In
0.224004472527 # B[18, 4, 3, 5] Block = 6 Type = In
0.035047662350 # B[19, 4, 4, 4] Block = 6 Type = In
0.007150552805 # B[20, 4, 4, 6] Block = 6 Type = In
0.040682917098 # B[21, 5, 0, 5] Block = 6 Type = In
0.046855927526 # B[22, 5, 1, 6] Block = 6 Type = In
0.219695071346 # B[23, 5, 2, 5] Block = 6 Type = In
-0.001426581661 # B[24, 5, 3, 6] Block = 6 Type = In
0.028514699601 # B[25, 5, 4, 5] Block = 6 Type = In
0.067894750884 # B[26, 5, 5, 6] Block = 6 Type = In
-0.049888149225 # B[27, 6, 0, 6] Block = 6 Type = In
0.009259151039 # B[28, 6, 2, 6] Block = 6 Type = In
0.003868002128 # B[29, 6, 4, 6] Block = 6 Type = In
-0.008649958571 # B[30, 6, 6, 6] Block = 6 Type = In
-0.005654800692 # B[1, 0, 0, 0] Block = 7 Type = In
-0.071064263981 # B[2, 1, 0, 1] Block = 7 Type = In
-0.085085203640 # B[3, 1, 1, 2] Block = 7 Type = In
-0.061297753855 # B[4, 2, 0, 2] Block = 7 Type = In
0.223668616358 # B[5, 2, 1, 3] Block = 7 Type = In
0.015954956116 # B[6, 2, 2, 2] Block = 7 Type = In
0.033706085249 # B[7, 2, 2, 4] Block = 7 Type = In
-0.081125948095 # B[8, 3, 0, 3] Block = 7 Type = In
-0.005054494008 # B[9, 3, 1, 4] Block = 7 Type = In
0.242239715395 # B[10, 3, 2, 3] Block = 7 Type = In
-0.000886414104 # B[11, 3, 2, 5] Block = 7 Type = In
0.059178212190 # B[12, 3, 3, 4] Block = 7 Type = In
0.008498646326 # B[13, 3, 3, 6] Block = 7 Type = In
0.014786217107 # B[14, 4, 0, 4] Block = 7 Type = In
-0.178665293356 # B[15, 4, 1, 5] Block = 7 Type = In
0.164908528605 # B[16, 4, 2, 4] Block = 7 Type = In
-0.117717485069 # B[17, 4, 2, 6] Block = 7 Type = In
0.146739677531 # B[18, 4, 3, 5] Block = 7 Type = In
0.035047662350 # B[19, 4, 4, 4] Block = 7 Type = In
0.088770688382 # B[20, 4, 4, 6] Block = 7 Type = In
0.019198319779 # B[21, 5, 0, 5] Block = 7 Type = In
-0.148162265312 # B[22, 5, 1, 6] Block = 7 Type = In
0.114478010571 # B[23, 5, 2, 5] Block = 7 Type = In
0.114731400461 # B[24, 5, 3, 6] Block = 7 Type = In
0.096853268510 # B[25, 5, 4, 5] Block = 7 Type = In
0.031183854107 # B[26, 5, 5, 6] Block = 7 Type = In
-0.002405537661 # B[27, 6, 0, 6] Block = 7 Type = In
0.058549926350 # B[28, 6, 2, 6] Block = 7 Type = In
0.009481237049 # B[29, 6, 4, 6] Block = 7 Type = In
-0.008649958571 # B[30, 6, 6, 6] Block = 7 Type = In
0.017733403092 # B[1, 0, 0, 0] Block = 8 Type = In
0.015168905151 # B[2, 1, 0, 1] Block = 8 Type = In
-0.212358294308 # B[3, 1, 1, 2] Block = 8 Type = In
0.115608035432 # B[4, 2, 0, 2] Block = 8 Type = In
0.128621845177 # B[5, 2, 1, 3] Block = 8 Type = In
-0.055682216710 # B[6, 2, 2, 2] Block = 8 Type = In
0.168986321733 # B[7, 2, 2, 4] Block = 8 Type = In
-0.087186888529 # B[8, 3, 0, 3] Block = 8 Type = In
0.378810692322 # B[9, 3, 1, 4] Block = 8 Type = In
0.036128510376 # B[10, 3, 2, 3] Block = 8 Type = In
0.179888488204 # B[11, 3, 2, 5] Block = 8 Type = In
-0.001405954437 # B[12, 3, 3, 4] Block = 8 Type = In
0.010551104009 # B[13, 3, 3, 6] Block = 8 Type = In
-0.059381370200 # B[14, 4, 0, 4] Block = 8 Type = In
0.475432753620 # B[15, 4, 1, 5] Block = 8 Type = In
0.095868282640 # B[16, 4, 2, 4] Block = 8 Type = In
0.106524975238 # B[17, 4, 2, 6] Block = 8 Type = In
0.058941182257 # B[18, 4, 3, 5] Block = 8 Type = In
0.012512778321 # B[19, 4, 4, 4] Block = 8 Type = In
0.080549204239 # B[20, 4, 4, 6] Block = 8 Type = In
-0.068536821891 # B[21, 5, 0, 5] Block = 8 Type = In
0.089459777664 # B[22, 5, 1, 6] Block = 8 Type = In
0.163187761880 # B[23, 5, 2, 5] Block = 8 Type = In
0.139719330200 # B[24, 5, 3, 6] Block = 8 Type = In
0.145095171389 # B[25, 5, 4, 5] Block = 8 Type = In
0.074157391376 # B[26, 5, 5, 6] Block = 8 Type = In
0.018646775951 # B[27, 6, 0, 6] Block = 8 Type = In
0.035882498943 # B[28, 6, 2, 6] Block = 8 Type = In
0.050420424420 # B[29, 6, 4, 6] Block = 8 Type = In
0.009994821144 # B[30, 6, 6, 6] Block = 8 Type = In
0.000000000000 # B[0] Block = 1 Type = P
-0.002987589706 # B[1, 0, 0, 0] Block = 1 Type = P
-0.072158389412 # B[2, 1, 0, 1] Block = 1 Type = P
-0.025322250603 # B[3, 1, 1, 2] Block = 1 Type = P
-0.030241379192 # B[4, 2, 0, 2] Block = 1 Type = P
-0.676287334962 # B[5, 2, 1, 3] Block = 1 Type = P
-0.172216278028 # B[6, 2, 2, 2] Block = 1 Type = P
-0.246535097343 # B[7, 2, 2, 4] Block = 1 Type = P
-0.035782528462 # B[8, 3, 0, 3] Block = 1 Type = P
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0.030961312127 # B[26, 5, 5, 6] Block = 7 Type = P
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0.093716628094 # B[12, 3, 3, 4] Block = 8 Type = P
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0.004554405520 # B[23, 5, 2, 5] Block = 8 Type = P
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0.007347917376 # B[29, 6, 4, 6] Block = 8 Type = P
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|
