Table 2 Atomic four-body statistical potential.
Quad | Count | f ijkl | p ijkl | s ijkl | Quad | Count | f ijkl | p ijkl | s ijkl |
|---|---|---|---|---|---|---|---|---|---|
CCCC | 4015872 | 0.116386 | 0.160748 | -0.140244 | MMNS | 363 | 1.05E-05 | 2.00E-09 | 3.720958 |
CCCM | 1592 | 4.61E-05 | 0.000450 | -0.989223 | MMNX | 0 | 0 | 3.02E-10 | -- |
CCCN | 4025206 | 0.116657 | 0.172495 | -0.169866 | MMOO | 306 | 8.87E-06 | 4.29E-08 | 2.315530 |
CCCO | 6202159 | 0.179748 | 0.193701 | -0.032467 | MMOS | 104 | 3.01E-06 | 2.25E-09 | 3.127729 |
CCCS | 293157 | 0.008496 | 0.005072 | 0.224008 | MMOX | 3 | 8.69E-08 | 3.39E-10 | 2.409325 |
CCCX | 2796 | 8.10E-05 | 0.000765 | -0.975047 | MMSS | 254 | 7.36E-06 | 2.94E-11 | 5.398477 |
CCMM | 132 | 3.83E-06 | 4.73E-07 | 0.908235 | MMSX | 2 | 5.80E-08 | 8.87E-12 | 3.815151 |
CCMN | 3318 | 9.62E-05 | 0.000362 | -0.575981 | MMXX | 0 | 0 | 6.69E-13 | -- |
CCMO | 5325 | 0.000154 | 0.000407 | -0.420893 | MNNN | 1030 | 2.99E-05 | 8.69E-06 | 0.535960 |
CCMS | 2293 | 6.65E-05 | 1.07E-05 | 0.795108 | MNNO | 1128 | 3.27E-05 | 2.93E-05 | 0.047955 |
CCMX | 15 | 4.35E-07 | 1.61E-06 | -0.567697 | MNNS | 561 | 1.63E-05 | 7.67E-07 | 1.326526 |
CCNN | 1797552 | 0.052096 | 0.069412 | -0.124635 | MNNX | 5 | 1.45E-07 | 1.16E-07 | 0.098041 |
CCNO | 8233136 | 0.238609 | 0.155892 | 0.184864 | MNOO | 3744 | 0.000109 | 3.29E-05 | 0.518626 |
CCNS | 124653 | 0.003613 | 0.004082 | -0.053081 | MNOS | 314 | 9.10E-06 | 1.72E-06 | 0.723107 |
CCNX | 2007 | 5.82E-05 | 0.000616 | -1.024729 | MNOX | 29 | 8.40E-07 | 2.60E-07 | 0.510083 |
CCOO | 3366568 | 0.097568 | 0.087528 | 0.047161 | MNSS | 793 | 2.30E-05 | 2.25E-08 | 3.008398 |
CCOS | 198630 | 0.005757 | 0.004584 | 0.098905 | MNSX | 5 | 1.45E-07 | 6.80E-09 | 1.328573 |
CCOX | 4626 | 0.000134 | 0.000691 | -0.712426 | MNXX | 9 | 2.61E-07 | 5.13E-10 | 2.706383 |
CCSS | 15288 | 0.000443 | 6.00E-05 | 0.868158 | MOOO | 5430 | 0.000157 | 1.23E-05 | 1.106856 |
CCSX | 144 | 4.17E-06 | 1.81E-05 | -0.637352 | MOOS | 156 | 4.52E-06 | 9.67E-07 | 0.669977 |
CCXX | 143 | 4.14E-06 | 1.37E-06 | 0.482159 | MOOX | 168 | 4.87E-06 | 1.46E-07 | 1.523669 |
CMMM | 23 | 6.67E-07 | 2.21E-10 | 3.480397 | MOSS | 210 | 6.09E-06 | 2.53E-08 | 2.380989 |
CMMN | 144 | 4.17E-06 | 2.54E-07 | 1.216422 | MOSX | 4 | 1.16E-07 | 7.64E-09 | 1.181307 |
CMMO | 256 | 7.42E-06 | 2.85E-07 | 1.415945 | MOXX | 55 | 1.59E-06 | 5.76E-10 | 3.442148 |
CMMS | 662 | 1.92E-05 | 7.46E-09 | 3.410480 | MSSS | 62 | 1.80E-06 | 2.21E-10 | 3.910199 |
CMMX | 1 | 2.90E-08 | 1.12E-09 | 1.411130 | MSSX | 2 | 5.80E-08 | 1.00E-10 | 2.763224 |
CMNN | 2474 | 7.17E-05 | 9.72E-05 | -0.132029 | MSXX | 0 | 0 | 1.51E-11 | -- |
CMNO | 6267 | 0.000182 | 0.000218 | -0.079754 | MXXX | 16 | 4.64E-07 | 7.58E-13 | 5.786451 |
CMNS | 2588 | 7.50E-05 | 5.72E-06 | 1.118068 | NNNN | 3878 | 0.000112 | 0.000833 | -0.869698 |
CMNX | 26 | 7.54E-07 | 8.62E-07 | -0.058415 | NNNO | 46665 | 0.001352 | 0.003740 | -0.441730 |
CMOO | 8481 | 0.000246 | 0.000123 | 0.302308 | NNNS | 460 | 1.33E-05 | 9.79E-05 | -0.866046 |
CMOS | 1010 | 2.93E-05 | 6.42E-06 | 0.659069 | NNNX | 34 | 9.85E-07 | 1.48E-05 | -1.175817 |
CMOX | 68 | 1.97E-06 | 9.68E-07 | 0.308765 | NNOO | 340620 | 0.009872 | 0.006299 | 0.195102 |
CMSS | 2047 | 5.93E-05 | 8.40E-08 | 2.848813 | NNOS | 5637 | 0.000163 | 0.000330 | -0.305233 |
CMSX | 13 | 3.77E-07 | 2.53E-08 | 1.172117 | NNOX | 302 | 8.75E-06 | 4.98E-05 | -0.754766 |
CMXX | 6 | 1.74E-07 | 1.91E-09 | 1.958862 | NNSS | 311 | 9.01E-06 | 4.32E-06 | 0.319427 |
CNNN | 102035 | 0.002957 | 0.012414 | -0.623046 | NNSX | 6 | 1.74E-07 | 1.30E-06 | -0.874705 |
CNNO | 1995038 | 0.057819 | 0.041821 | 0.140679 | NNXX | 5 | 1.45E-07 | 9.83E-08 | 0.168652 |
CNNS | 15892 | 0.000461 | 0.001095 | -0.376176 | NOOO | 171147 | 0.004960 | 0.004716 | 0.021937 |
CNNX | 578 | 1.68E-05 | 0.000165 | -0.993919 | NOOS | 10697 | 0.000310 | 0.000370 | -0.077374 |
CNOO | 2734639 | 0.079254 | 0.046962 | 0.227273 | NOOX | 3102 | 8.99E-05 | 5.59E-05 | 0.206513 |
CNOS | 95438 | 0.002766 | 0.002460 | 0.050981 | NOSS | 922 | 2.67E-05 | 9.70E-06 | 0.440012 |
CNOX | 2168 | 6.28E-05 | 0.000371 | -0.771173 | NOSX | 12 | 3.48E-07 | 2.93E-06 | -0.925060 |
CNSS | 4264 | 0.000124 | 3.22E-05 | 0.584024 | NOXX | 61 | 1.77E-06 | 2.21E-07 | 0.903627 |
CNSX | 37 | 1.07E-06 | 9.71E-06 | -0.957113 | NSSS | 33 | 9.56E-07 | 8.47E-08 | 1.052833 |
CNXX | 61 | 1.77E-06 | 7.33E-07 | 0.382553 | NSSX | 0 | 0 | 3.83E-08 | -- |
COOO | 524994 | 0.015215 | 0.017579 | -0.062707 | NSXX | 0 | 0 | 5.78E-09 | -- |
COOS | 34429 | 0.000998 | 0.001381 | -0.141141 | NXXX | 3 | 8.69E-08 | 2.91E-10 | 2.475964 |
COOX | 23801 | 0.000690 | 0.000208 | 0.520038 | OOOO | 34212 | 0.000992 | 0.001324 | -0.125549 |
COSS | 4380 | 0.000127 | 3.62E-05 | 0.545326 | OOOS | 4240 | 0.000123 | 0.000139 | -0.052504 |
COSX | 58 | 1.68E-06 | 1.09E-05 | -0.812243 | OOOX | 9553 | 0.000277 | 2.09E-05 | 1.121777 |
COXX | 65 | 1.88E-06 | 8.23E-07 | 0.359781 | OOSS | 300 | 8.69E-06 | 5.45E-06 | 0.203077 |
CSSS | 285 | 8.26E-06 | 3.16E-07 | 1.417735 | OOSX | 36 | 1.04E-06 | 1.64E-06 | -0.197264 |
CSSX | 5 | 1.45E-07 | 1.43E-07 | 0.006247 | OOXX | 128 | 3.71E-06 | 1.24E-07 | 1.476181 |
CSXX | 4 | 1.16E-07 | 2.15E-08 | 0.730845 | OSSS | 38 | 1.10E-06 | 9.51E-08 | 1.063748 |
CXXX | 9 | 2.61E-07 | 1.08E-09 | 2.381656 | OSSX | 3 | 8.69E-08 | 4.30E-08 | 0.305472 |
MMMM | 83 | 2.41E-06 | 3.86E-14 | 7.794725 | OSXX | 0 | 0 | 6.49E-09 | -- |
MMMN | 37 | 1.07E-06 | 5.92E-11 | 4.258301 | OXXX | 2 | 5.80E-08 | 3.26E-10 | 2.249518 |
MMMO | 29 | 8.40E-07 | 6.64E-11 | 4.102142 | SSSS | 6 | 1.74E-07 | 6.23E-10 | 2.446092 |
MMMS | 379 | 1.10E-05 | 1.74E-12 | 6.800300 | SSSX | 0 | 0 | 3.76E-10 | -- |
MMMX | 0 | 0 | 2.62E-13 | -- | SSXX | 0 | 0 | 8.50E-11 | -- |
MMNN | 83 | 2.41E-06 | 3.40E-08 | 1.849597 | SXXX | 0 | 0 | 8.55E-12 | -- |
MMNO | 102 | 2.96E-06 | 7.64E-08 | 1.587734 | XXXX | 0 | 0 | 3.22E-13 | -- |