MLIP-tutorials / advanced_simulation /experimental_rdf_oo_water_skinner2013.csv
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# O-O radial distribution function of liquid water at 295.1 K
# Source: Skinner, L.B. & Benmore, C.J. et al., J. Chem. Phys. 138, 074506 (2013)
# High-energy X-ray scattering, 0.1 Å resolution
r_angstrom,g_oo,g_oo_error
0.0,0.0,0.0
0.1,0.0,0.0
0.2,0.0,0.0
0.3,0.0,0.0
0.4,0.0,0.0
0.5,0.0,0.0
0.6,0.0,0.0
0.7,0.0,0.0
0.8,0.0,0.0
0.9,0.0,0.0
1.0,0.0,0.0
1.1,0.0,0.0
1.2,0.0,0.0
1.3,0.0,0.0
1.4,0.0,0.0
1.5,0.0,0.0
1.6,0.0,0.0
1.7,0.0,0.0
1.8,0.0,0.0
1.9,0.0,0.0
2.0,0.0,0.0
2.1,0.0,0.0
2.2,0.0,0.0
2.3,0.0,0.0
2.4,0.0151,0.0147
2.5,0.24,0.0319
2.6,0.9899,0.0308
2.7,2.0404,0.029
2.8,2.5704,0.0204
2.9,2.2478,0.0205
3.0,1.599,0.0201
3.1,1.1766,0.021
3.2,0.9907,0.0184
3.3,0.8888,0.0167
3.4,0.8467,0.0143
3.5,0.8489,0.0127
3.6,0.8689,0.0112
3.7,0.8994,0.0105
3.8,0.9344,0.0101
3.9,0.97,0.0098
4.0,1.0063,0.0093
4.1,1.0399,0.0086
4.2,1.068,0.008
4.3,1.0909,0.0075
4.4,1.1069,0.0072
4.5,1.1128,0.007
4.6,1.1084,0.0067
4.7,1.0953,0.0065
4.8,1.0733,0.0062
4.9,1.0442,0.0059
5.0,1.0124,0.0056
5.1,0.9804,0.0055
5.2,0.9491,0.0052
5.3,0.9215,0.0051
5.4,0.9007,0.0047
5.5,0.8881,0.0047
5.6,0.8843,0.0045
5.7,0.8899,0.0044
5.8,0.9032,0.0043
5.9,0.9216,0.0041
6.0,0.9443,0.0039
6.1,0.9696,0.0037
6.2,0.9938,0.0036
6.3,1.0152,0.0035
6.4,1.0335,0.0035
6.5,1.0475,0.0034
6.6,1.056,0.0033
6.7,1.0602,0.0032
6.8,1.061,0.003
6.9,1.0575,0.0029
7.0,1.0502,0.0028
7.1,1.0411,0.0028
7.2,1.0307,0.0028
7.3,1.0187,0.0027
7.4,1.007,0.0026
7.5,0.9977,0.0025
7.6,0.9902,0.0023
7.7,0.9841,0.0023
7.8,0.9803,0.0023
7.9,0.9791,0.0023
8.0,0.979,0.0022