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b/occC/p2/electrolytes_scaled_sep/group_000.zarr/zarr.json @@ -0,0 +1,5311 @@ +{ + "attributes": { + "schema": "omol_elec/pass_a/2", + "shells": [ + "s", + "p", + "d", + "f", + "g" + ], + "scalar_f8_cols": [ + "e_total", + "e_total_engrad", + "e_nuc_rep", + "e_one_elec", + "e_two_elec", + "e_kinetic", + "virial_ratio", + "e_xc", + "e_nl", + "e_exchange", + "n_alpha_int", + "n_beta_int", + "s2", + "s2_ideal", + "s2_dev", + "conv_denergy", + "conv_maxdp", + "conv_rmsdp", + "conv_diiserr", + "smallest_ovlp_eig", + "grad_norm", + "grad_rms", + "grad_max", + "run_time_s", + "dipole_au", + "dipole_debye", + "quad_iso", + "npa_core", + "npa_valence", + "npa_rydberg", + "nbo_lewis", + "nbo_nonlewis", + "homo_a", + "lumo_a", + "gap_a", + "homo_b", + "lumo_b", + "gap_b" + ], + "scalar_i_cols": [ + "charge", + "mult", + "nelec", + "nbas", + "naux", + "n_lindep", + "scf_cycles", + "n_atoms" + ], + "flag_cols": [ + "scf_converged", + "terminated_normally", + "nbo_available", + "npa_available", + 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"eps_err_b", + "fc_offdiag_a", + "fc_offdiag_b", + "fc_diag_err_a", + "fc_diag_err_b", + "fc_bound_a", + "fc_bound_b" + ], + "mo_flag_cols": [ + "gbw_found", + "nbas_match", + "nspin_match", + "nelec_match", + "spin_match", + "eps_checked", + "eps_match", + "occ_contiguous", + "fock_checked", + "fock_match", + "mo_ok" + ], + "mo_layout": "cmo_x[o[i]:o[i+1]].reshape(nocc_x, nbas) = C_occ^T (row k = occupied MO k over AOs, ORCA AO order); derived from the full-C store", + "mo_content": "occupied", + "calc_id": [ + "electrolytes_scaled_sep__1708_CH4O_3_shell_78_0.72_0_1", + "electrolytes_scaled_sep__3664_CCl4_3_shell_277_0.8_0_1", + "electrolytes_scaled_sep__1061_C9H18NO+_3_shell_2727_0.77_6_1", + "electrolytes_scaled_sep__1571_Br-1_3_group_1_shell_14_0.76_-1_1", + "electrolytes_scaled_sep__1614_CH4O_3_shell_983_0.77_0_1", + "electrolytes_scaled_sep__3196_Sn+2_3_group_9_shell_76_0.7_-1_1", + "electrolytes_scaled_sep__3136_C4H10O2_3_shell_115_0.73_0_1", + 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"electrolytes_scaled_sep__493_C2H3O2-1_3_group_9_shell_61_0.78_1_1", + "electrolytes_scaled_sep__465_C4F3H6O2-1_3_shell_551_0.79_1_1", + "electrolytes_scaled_sep__2357_C3H7O-1_3_group_66_shell_177_0.78_1_1", + "electrolytes_scaled_sep__1076_C3H8NO+_3_shell_2574_0.76_-1_1", + "electrolytes_scaled_sep__1309_In+3_3_group_13_shell_99_0.78_-2_1", + "electrolytes_scaled_sep__3328_Be+2_3_group_9_shell_64_0.71_0_1", + "electrolytes_scaled_sep__2285_H2O_3_shell_16_0.8_0_1", + "electrolytes_scaled_sep__1748_C4H11NO_3_shell_103_0.8_0_1", + "electrolytes_scaled_sep__3363_C2H6O2_3_shell_1469_0.77_0_1", + "electrolytes_scaled_sep__3176_F2NO4S2-1_3_group_15_shell_109_0.77_7_1", + "electrolytes_scaled_sep__1990_K+_3_group_4_shell_41_0.79_-2_1", + "electrolytes_scaled_sep__342_Sn+2_3_group_4_shell_38_0.77_2_1", + "electrolytes_scaled_sep__2834_F2NO4S2-1_3_group_24_shell_134_0.77_-2_1", + "electrolytes_scaled_sep__693_C3H6O_3_shell_2646_0.78_0_1", + "electrolytes_scaled_sep__2085_H2O_3_shell_362_0.72_0_1", + "electrolytes_scaled_sep__2734_C2H6O_3_shell_5_0.74_0_1", + "electrolytes_scaled_sep__2043_C4H11NO_3_shell_655_0.76_0_1", + "electrolytes_scaled_sep__1520_C4H8O_3_shell_233_0.76_0_1", + "electrolytes_scaled_sep__1082_F-1_3_group_0_shell_7_0.74_-1_1", + "electrolytes_scaled_sep__3412_F2NO4S2-1_3_group_26_shell_71_0.77_0_2", + "electrolytes_scaled_sep__2416_CH4O_3_shell_72_0.72_0_1", + "electrolytes_scaled_sep__445_Sr+2_3_group_1_shell_10_0.78_-1_1", + "electrolytes_scaled_sep__1216_OV+2_3_group_3_shell_27_0.71_0_2", + "electrolytes_scaled_sep__1028_C3H6O_3_shell_984_0.8_0_1", + "electrolytes_scaled_sep__2979_BF4-1_3_group_145_shell_521_0.76_1_1", + "electrolytes_scaled_sep__1647_Tl+3_3_group_15_shell_97_0.79_1_1", + "electrolytes_scaled_sep__179_C3H4O3_3_shell_172_0.73_0_1", + "electrolytes_scaled_sep__1737_I-1_3_group_2_shell_20_0.72_1_1", + "electrolytes_scaled_sep__3060_I-1_3_group_3_shell_27_0.78_-1_1", + "electrolytes_scaled_sep__3073_C4H11NO_3_shell_553_0.73_0_1", + "electrolytes_scaled_sep__3343_HO-1_3_group_11_shell_99_0.71_1_1", + "electrolytes_scaled_sep__2076_Br2C2H4_3_shell_174_0.78_0_1", + "electrolytes_scaled_sep__673_Li+_3_group_0_shell_5_0.73_0_1", + "electrolytes_scaled_sep__3284_H2O_3_shell_766_0.8_0_1", + "electrolytes_scaled_sep__3231_C6H15NO2_3_shell_569_0.79_0_1", + "electrolytes_scaled_sep__2794_C4H11NO_3_shell_322_0.73_0_1", + "electrolytes_scaled_sep__2012_H3O+_3_group_19_shell_124_0.79_0_1", + "electrolytes_scaled_sep__424_Na+_3_group_6_shell_41_0.75_-2_1", + "electrolytes_scaled_sep__3384_BF4-1_3_group_7_shell_59_0.75_0_1", + "electrolytes_scaled_sep__2585_CH3O-1_3_group_8_shell_52_0.74_-1_1", + "electrolytes_scaled_sep__3071_Pd+2_3_group_2_shell_24_0.78_1_3", + "electrolytes_scaled_sep__1402_O2V+_3_group_12_shell_78_0.74_-3_1", + "electrolytes_scaled_sep__862_C2F6NO4S2-1_3_group_87_shell_154_0.79_0_1", + "electrolytes_scaled_sep__3524_Br2C2H4_3_shell_115_0.74_0_1", + "electrolytes_scaled_sep__407_CH4N2O_3_shell_3067_0.77_0_1", + "electrolytes_scaled_sep__3655_Br-1_3_group_1_shell_12_0.73_-1_1", + "electrolytes_scaled_sep__329_Li+_3_group_7_shell_74_0.79_-1_1", + "electrolytes_scaled_sep__345_CH4O_3_shell_149_0.79_0_1", + "electrolytes_scaled_sep__948_CHO3-1_3_group_8_shell_82_0.78_1_1", + "electrolytes_scaled_sep__2969_H2O_3_shell_108_0.77_0_1", + "electrolytes_scaled_sep__3146_Br3CH_3_shell_730_0.72_0_1", + "electrolytes_scaled_sep__440_F6P-1_3_group_15_shell_83_0.77_-1_1", + "electrolytes_scaled_sep__1306_C4H8O_3_shell_405_0.73_0_1", + "electrolytes_scaled_sep__3057_H4N+_3_group_34_shell_158_0.75_0_1", + "electrolytes_scaled_sep__1874_H2O_3_shell_401_0.73_0_1", + "electrolytes_scaled_sep__1568_BF4-1_3_group_29_shell_234_0.73_0_1", + "electrolytes_scaled_sep__1022_BF4-1_3_group_5_shell_57_0.72_3_1", + "electrolytes_scaled_sep__366_C2H6O_3_shell_5_0.75_0_1", + "electrolytes_scaled_sep__3659_C2H5NO_3_shell_673_0.72_0_1", + "electrolytes_scaled_sep__1196_C6H15NO2_3_shell_2879_0.79_0_1", + "electrolytes_scaled_sep__3022_Na+_3_group_5_shell_48_0.76_-2_1", + "electrolytes_scaled_sep__118_C4H6O3_3_shell_294_0.76_0_1", + "electrolytes_scaled_sep__555_C3H8O_3_shell_1812_0.74_0_1", + "electrolytes_scaled_sep__3474_C6H5NO2_3_shell_49_0.79_0_1", + "electrolytes_scaled_sep__1748_H2O_3_shell_283_0.77_0_1", + "electrolytes_scaled_sep__3523_C4H8O_3_shell_692_0.8_0_1", + "electrolytes_scaled_sep__72_Na+_3_group_13_shell_92_0.73_-2_1", + "electrolytes_scaled_sep__500_CH4O_3_shell_595_0.75_0_1", + "electrolytes_scaled_sep__2245_CCl3H_3_shell_108_0.72_0_1", + "electrolytes_scaled_sep__3194_BF4-1_3_group_39_shell_232_0.77_1_1", + "electrolytes_scaled_sep__968_In+3_3_group_0_shell_3_0.79_3_1", + "electrolytes_scaled_sep__1181_C2H4O2-2_3_group_14_shell_112_0.76_0_1", + "electrolytes_scaled_sep__3092_NO3-1_3_group_21_shell_140_0.74_5_1", + "electrolytes_scaled_sep__1737_Tl+3_3_group_7_shell_65_0.79_3_1", + "electrolytes_scaled_sep__1146_H3O+_3_group_24_shell_104_0.77_0_1", + "electrolytes_scaled_sep__3232_Rb+_3_group_13_shell_92_0.78_0_1", + "electrolytes_scaled_sep__3182_BF4-1_3_group_62_shell_121_0.75_0_1", + "electrolytes_scaled_sep__3460_NO3-1_3_group_3_shell_31_0.7_3_1", + "electrolytes_scaled_sep__2246_BH4-1_3_group_56_shell_284_0.71_0_1", + "electrolytes_scaled_sep__2779_Br-1_3_group_1_shell_13_0.79_1_4", + "electrolytes_scaled_sep__1948_Br2C2H4_3_shell_25_0.78_0_1", + "electrolytes_scaled_sep__361_Br-1_3_group_8_shell_49_0.8_1_1", + "electrolytes_scaled_sep__2463_Ag+_3_group_0_shell_6_0.75_0_1", + "electrolytes_scaled_sep__672_CH3NO2_3_shell_1394_0.77_0_1", + "electrolytes_scaled_sep__1570_Sn+2_3_group_11_shell_89_0.72_1_1", + "electrolytes_scaled_sep__939_OV+2_3_group_1_shell_14_0.79_0_2", + "electrolytes_scaled_sep__3288_C3H9O4P_3_shell_270_0.72_0_1", + "electrolytes_scaled_sep__904_O4S-2_3_group_66_shell_202_0.75_-2_1", + "electrolytes_scaled_sep__3400_OV+2_3_group_13_shell_85_0.73_1_2", + "electrolytes_scaled_sep__2595_HO-1_3_group_0_shell_0_0.78_2_1", + "electrolytes_scaled_sep__672_NO3-1_3_group_15_shell_55_0.75_1_1", + "electrolytes_scaled_sep__3350_F-1_3_group_30_shell_134_0.78_3_1", + "electrolytes_scaled_sep__2168_H2O_3_shell_140_0.72_0_1", + "electrolytes_scaled_sep__918_CH3NO2_3_shell_228_0.72_0_1", + "electrolytes_scaled_sep__2846_O2V+_3_group_42_shell_200_0.76_-2_1", + "electrolytes_scaled_sep__1767_C4H8O2_3_shell_450_0.75_0_1", + "electrolytes_scaled_sep__1665_Tl+3_3_group_15_shell_94_0.77_1_1", + "electrolytes_scaled_sep__3330_C2H6O_3_shell_7_0.77_0_1", + "electrolytes_scaled_sep__1409_F-1_3_group_3_shell_30_0.77_1_6", + "electrolytes_scaled_sep__2200_Sr+2_3_group_41_shell_251_0.72_1_1", + "electrolytes_scaled_sep__3317_Cl-1_3_group_9_shell_64_0.72_1_1", + "electrolytes_scaled_sep__2102_C6H2O4-2_3_group_8_shell_31_0.78_3_1", + "electrolytes_scaled_sep__756_C6H6_3_shell_2070_0.75_0_1", + "electrolytes_scaled_sep__2383_Br-1_3_group_0_shell_1_0.77_1_2", + "electrolytes_scaled_sep__2439_H2O_3_shell_22_0.77_0_1", + "electrolytes_scaled_sep__1234_H2O_3_shell_1008_0.73_0_1", + "electrolytes_scaled_sep__976_C2F6NO4S2-1_3_group_19_shell_84_0.79_0_5", + "electrolytes_scaled_sep__2830_C4H11NO_3_shell_66_0.8_0_1", + "electrolytes_scaled_sep__1369_H2O_3_shell_572_0.77_0_1", + "electrolytes_scaled_sep__3451_C4H11NO_3_shell_858_0.75_0_1", + "electrolytes_scaled_sep__1166_F2NO4S2-1_3_shell_1070_0.79_2_1", + "electrolytes_scaled_sep__1430_C3H4O3_3_shell_568_0.75_0_1", + "electrolytes_scaled_sep__2604_CHO3-1_3_group_2_shell_20_0.73_-1_1", + "electrolytes_scaled_sep__3628_C3H8O3S_3_shell_2292_0.74_0_1", + "electrolytes_scaled_sep__6_C3H4O3_3_shell_609_0.75_0_1", + "electrolytes_scaled_sep__33_H2O_3_shell_54_0.74_0_1", + "electrolytes_scaled_sep__3613_CCl2H2_3_shell_980_0.7_0_1", + "electrolytes_scaled_sep__3345_C4H11NO_3_shell_41_0.75_0_1", + "electrolytes_scaled_sep__3276_H3O+_3_group_0_shell_3_0.78_-1_1", + "electrolytes_scaled_sep__1006_CH4O_3_shell_432_0.78_0_1", + "electrolytes_scaled_sep__1576_C6H15N_3_shell_88_0.8_0_1", + "electrolytes_scaled_sep__2449_CHO3-1_3_group_8_shell_19_0.72_-3_1", + "electrolytes_scaled_sep__3005_Al+3_3_group_1_shell_19_0.78_3_1", + "electrolytes_scaled_sep__746_H3O+_3_group_57_shell_146_0.71_0_1", + "electrolytes_scaled_sep__3694_C2H5O-1_3_group_64_shell_135_0.79_1_1", + "electrolytes_scaled_sep__555_HO-1_3_group_37_shell_58_0.8_1_1", + "electrolytes_scaled_sep__1914_Cl-1_3_group_8_shell_81_0.71_-1_1", + "electrolytes_scaled_sep__236_Tl+3_3_group_1_shell_17_0.74_1_1", + "electrolytes_scaled_sep__2314_I-1_3_group_5_shell_33_0.76_3_3", + "electrolytes_scaled_sep__1336_Al+3_3_group_9_shell_93_0.76_3_1", + "electrolytes_scaled_sep__1331_BH4-1_3_group_2_shell_26_0.8_0_3", + "electrolytes_scaled_sep__656_Br-1_3_group_4_shell_42_0.8_1_2", + "electrolytes_scaled_sep__1537_CH4N2O_3_shell_449_0.79_0_1", + "electrolytes_scaled_sep__2160_Sn+2_3_group_6_shell_54_0.7_0_1", + "electrolytes_scaled_sep__1264_C2H5O-1_3_group_5_shell_48_0.75_1_1", + "electrolytes_scaled_sep__2729_CH4O_3_shell_930_0.75_0_1", + "electrolytes_scaled_sep__2438_Sn+2_3_group_12_shell_88_0.73_1_1", + "electrolytes_scaled_sep__1772_C4H11NO_3_shell_94_0.77_0_1", + "electrolytes_scaled_sep__2448_H2O_3_shell_927_0.72_0_1", + "electrolytes_scaled_sep__3193_BF4-1_3_group_8_shell_81_0.79_2_1", + "electrolytes_scaled_sep__705_C3H8O_3_shell_2198_0.76_0_1", + "electrolytes_scaled_sep__1251_C2H6OS_3_shell_333_0.76_0_1", + "electrolytes_scaled_sep__3425_C2H6O_3_shell_876_0.76_0_1", + "electrolytes_scaled_sep__970_C2H3O2-1_3_group_22_shell_147_0.71_-1_1", + "electrolytes_scaled_sep__2868_O2V+_3_group_12_shell_113_0.79_0_1", + "electrolytes_scaled_sep__785_Rb+_3_group_4_shell_30_0.75_0_1", + "electrolytes_scaled_sep__1814_Hg+2_3_group_16_shell_100_0.76_-2_1", + "electrolytes_scaled_sep__981_BF4-1_3_group_1_shell_11_0.75_-1_1", + "electrolytes_scaled_sep__2346_C3H8O3S_3_shell_146_0.73_0_1", + "electrolytes_scaled_sep__2828_Br2C2H4_3_shell_19_0.75_0_1", + "electrolytes_scaled_sep__2420_CHO3-1_3_group_13_shell_94_0.8_0_1", + "electrolytes_scaled_sep__3358_Br-1_3_group_25_shell_122_0.79_2_4", + "electrolytes_scaled_sep__3063_Cs+_3_group_10_shell_73_0.8_0_1", + "electrolytes_scaled_sep__607_AsF6-1_3_group_0_shell_1_0.72_-1_1", + "electrolytes_scaled_sep__1271_C3H7O-1_3_group_27_shell_220_0.72_-1_1", + "electrolytes_scaled_sep__2448_Tl+3_3_group_21_shell_137_0.76_-1_1", + "electrolytes_scaled_sep__1217_HO-1_3_group_11_shell_75_0.78_3_3", + "electrolytes_scaled_sep__94_F6P-1_3_group_18_shell_164_0.79_-1_1", + "electrolytes_scaled_sep__61_C3H6O3_3_shell_601_0.78_0_1", + "electrolytes_scaled_sep__1578_Rb+_3_group_11_shell_103_0.72_0_1", + "electrolytes_scaled_sep__2172_O4S-2_3_group_1_shell_6_0.79_2_1", + "electrolytes_scaled_sep__2180_BH4-1_3_group_5_shell_38_0.7_0_1", + "electrolytes_scaled_sep__1330_BH4-1_3_group_12_shell_89_0.75_1_1", + "electrolytes_scaled_sep__2505_H2O_3_shell_95_0.72_0_1", + "electrolytes_scaled_sep__2466_Cl-1_3_shell_13_0.74_5_1", + "electrolytes_scaled_sep__3291_Hf+4_3_group_0_shell_9_0.71_4_1", + "electrolytes_scaled_sep__1336_Al+3_3_group_6_shell_54_0.75_2_1", + "electrolytes_scaled_sep__2324_Na+_3_group_8_shell_48_0.73_1_1", + "electrolytes_scaled_sep__2746_Rb+_3_group_8_shell_53_0.71_1_1", + "electrolytes_scaled_sep__3662_C2H5O-1_3_group_62_shell_255_0.8_-1_1", + "electrolytes_scaled_sep__992_Br3CH_3_shell_9_0.74_0_1", + "electrolytes_scaled_sep__3696_C6H4O4_3_shell_860_0.8_0_1", + "electrolytes_scaled_sep__2871_CH4N2O_3_shell_57_0.79_0_1", + "electrolytes_scaled_sep__1234_C4H11NO_3_shell_3338_0.71_0_1", + "electrolytes_scaled_sep__3116_C2H6O2_3_shell_129_0.73_0_1", + "electrolytes_scaled_sep__67_H2O_3_shell_110_0.73_0_1", + "electrolytes_scaled_sep__1357_C3H8O_3_shell_151_0.8_0_1", + "electrolytes_scaled_sep__2644_CCl3H_3_shell_3_0.77_0_1", + "electrolytes_scaled_sep__1368_C4F3H5O2_3_shell_85_0.78_0_1", + "electrolytes_scaled_sep__2611_C6H15NO2_3_shell_92_0.76_0_1", + "electrolytes_scaled_sep__1567_Rb+_3_group_11_shell_97_0.77_-1_1", + "electrolytes_scaled_sep__688_F2O2P-1_3_group_59_shell_75_0.8_0_1", + "electrolytes_scaled_sep__2036_C3H7NO_3_shell_116_0.79_0_1", + "electrolytes_scaled_sep__3611_C4H8O_3_shell_3391_0.78_0_1", + "electrolytes_scaled_sep__1147_C2H6O2_3_shell_2604_0.74_0_1", + "electrolytes_scaled_sep__3582_BF4-1_3_group_4_shell_7_0.75_-1_1", + "electrolytes_scaled_sep__1328_H2O_3_shell_150_0.7_0_1", + "electrolytes_scaled_sep__1688_HO-1_3_group_27_shell_86_0.71_3_1", + "electrolytes_scaled_sep__1423_C2H5O-1_3_group_163_shell_365_0.79_1_2", + "electrolytes_scaled_sep__3464_Cl-1_3_group_3_shell_32_0.71_1_3", + "electrolytes_scaled_sep__836_H2O_3_shell_275_0.78_0_1", + "electrolytes_scaled_sep__753_ClO4-1_3_group_16_shell_53_0.78_-1_1", + "electrolytes_scaled_sep__420_Cr+3_3_group_6_shell_28_0.72_-1_4", + "electrolytes_scaled_sep__2425_Cr+3_3_group_2_shell_25_0.72_3_4", + "electrolytes_scaled_sep__3195_BF4-1_3_group_5_shell_43_0.78_-1_1", + "electrolytes_scaled_sep__1926_CH4O_3_shell_62_0.78_0_1", + "electrolytes_scaled_sep__1578_Rb+_3_group_15_shell_142_0.79_-2_1", + "electrolytes_scaled_sep__1386_C4H8O3_3_shell_934_0.79_0_1", + "electrolytes_scaled_sep__3190_CCl3H_3_shell_407_0.73_0_1", + "electrolytes_scaled_sep__3354_HO-1_3_group_2_shell_22_0.76_1_5", + "electrolytes_scaled_sep__3227_In+3_3_group_6_shell_63_0.76_2_1", + "electrolytes_scaled_sep__1250_ClO4-1_3_group_8_shell_68_0.78_-1_1", + "electrolytes_scaled_sep__1710_C3H8O_3_shell_650_0.75_0_1", + "electrolytes_scaled_sep__1438_H2O_3_shell_1398_0.73_0_1", + "electrolytes_scaled_sep__400_Rb+_3_group_3_shell_37_0.79_-3_1", + "electrolytes_scaled_sep__3379_F-1_3_group_30_shell_211_0.72_3_3", + "electrolytes_scaled_sep__3546_C3H8O3S_3_shell_353_0.77_0_1", + "electrolytes_scaled_sep__1694_H2O_3_shell_115_0.75_0_1", + "electrolytes_scaled_sep__1506_BC4O8-1_3_group_73_shell_299_0.8_-2_1", + "electrolytes_scaled_sep__2958_CO3-2_3_group_7_shell_72_0.75_4_1", + "electrolytes_scaled_sep__1109_C6H15NO2_3_shell_3067_0.76_0_1", + "electrolytes_scaled_sep__3239_C2H3O2-1_3_group_10_shell_70_0.73_1_1", + "electrolytes_scaled_sep__2782_Br-1_3_group_10_shell_94_0.77_-1_1", + "electrolytes_scaled_sep__1337_CH4O_3_shell_67_0.71_0_1", + "electrolytes_scaled_sep__1875_H2O_3_shell_77_0.7_0_1", + "electrolytes_scaled_sep__893_ClO4-1_3_group_11_shell_113_0.71_1_3", + "electrolytes_scaled_sep__1740_I-1_3_group_14_shell_79_0.78_1_1", + "electrolytes_scaled_sep__2640_F-1_3_group_11_shell_76_0.78_2_3", + "electrolytes_scaled_sep__491_Ca+2_3_group_7_shell_70_0.73_0_1", + "electrolytes_scaled_sep__3014_C2H6O_3_shell_2383_0.71_0_1", + "electrolytes_scaled_sep__2128_F-1_3_group_21_shell_121_0.73_3_1", + "electrolytes_scaled_sep__206_K+_3_group_5_shell_53_0.75_-2_1", + "electrolytes_scaled_sep__2911_CO3-2_3_group_2_shell_13_0.73_0_5", + "electrolytes_scaled_sep__1128_CH3O-1_3_group_0_shell_9_0.78_-1_1", + "electrolytes_scaled_sep__404_C6H2O4-2_3_group_7_shell_36_0.8_1_1", + "electrolytes_scaled_sep__296_CCl2H2_3_shell_72_0.74_0_1", + "electrolytes_scaled_sep__3190_F6P-1_3_group_57_shell_86_0.75_1_1", + "electrolytes_scaled_sep__108_H2O_3_shell_77_0.76_0_1", + "electrolytes_scaled_sep__2131_C3H8O_3_shell_62_0.74_0_1", + "electrolytes_scaled_sep__1834_Br3CH_3_shell_52_0.79_0_1", + "electrolytes_scaled_sep__3526_O2V+_3_group_7_shell_58_0.75_1_3", + "electrolytes_scaled_sep__1191_C4H6O3_3_shell_87_0.76_0_1", + "electrolytes_scaled_sep__1676_H2O_3_shell_428_0.78_0_1", + "electrolytes_scaled_sep__1503_C2H3N_3_shell_226_0.79_0_1", + "electrolytes_scaled_sep__2183_CCl3H_3_shell_505_0.73_0_1", + "electrolytes_scaled_sep__2940_H2O_3_shell_115_0.79_0_1", + "electrolytes_scaled_sep__2497_O2V+_3_group_4_shell_44_0.72_0_1", + "electrolytes_scaled_sep__2958_CO3-2_3_group_12_shell_126_0.78_2_1", + "electrolytes_scaled_sep__3642_C3H8O3S_3_shell_2317_0.79_0_1", + "electrolytes_scaled_sep__189_C2F6NO4S2-1_3_group_32_shell_268_0.8_1_1", + "electrolytes_scaled_sep__2060_Br2C2H4_3_shell_10_0.74_0_1", + "electrolytes_scaled_sep__1614_C9H19NO_3_shell_1554_0.76_0_1", + "electrolytes_scaled_sep__2359_AsF6-1_3_group_8_shell_75_0.76_-1_1", + "electrolytes_scaled_sep__1384_O2V+_3_group_47_shell_137_0.73_0_1", + "electrolytes_scaled_sep__2555_C4H5N_3_shell_457_0.72_0_1", + "electrolytes_scaled_sep__3074_C4H11NO_3_shell_791_0.75_0_1", + "electrolytes_scaled_sep__775_C2H3O2-1_3_group_87_shell_176_0.75_0_1", + "electrolytes_scaled_sep__266_C3H7O-1_3_group_33_shell_147_0.74_2_1", + "electrolytes_scaled_sep__2928_Cs+_3_group_5_shell_45_0.78_-1_1", + "electrolytes_scaled_sep__2448_C6H15NO2_3_shell_2333_0.79_0_1", + "electrolytes_scaled_sep__253_C4H6O3_3_shell_64_0.75_0_1", + "electrolytes_scaled_sep__2626_C4F3H5O2_3_shell_1125_0.79_0_1", + "electrolytes_scaled_sep__3056_C3H8O_3_shell_1632_0.78_0_1", + "electrolytes_scaled_sep__2448_CH4O_3_shell_1567_0.75_0_1", + "electrolytes_scaled_sep__946_C2H6OS_3_shell_1408_0.75_0_1", + "electrolytes_scaled_sep__33_H2O_3_shell_55_0.77_0_1", + "electrolytes_scaled_sep__822_Cl-1_3_group_10_shell_76_0.79_2_2", + "electrolytes_scaled_sep__861_CH3O-1_3_group_46_shell_123_0.72_1_1", + "electrolytes_scaled_sep__1701_Rb+_3_group_12_shell_88_0.75_0_1", + "electrolytes_scaled_sep__1272_C2H6OS_3_shell_401_0.79_0_1", + "electrolytes_scaled_sep__3455_C2H4O4S_3_shell_202_0.71_0_1", + "electrolytes_scaled_sep__1476_C2H4O4S_3_shell_93_0.75_0_1", + "electrolytes_scaled_sep__917_C4H6O3_3_shell_827_0.75_0_1", + "electrolytes_scaled_sep__2775_C4H8O_3_shell_14_0.8_0_1", + "electrolytes_scaled_sep__2932_H2O_3_shell_454_0.75_0_1", + "electrolytes_scaled_sep__2447_Cl-1_3_group_20_shell_155_0.72_-1_1", + "electrolytes_scaled_sep__3428_C3H8O_3_shell_2078_0.74_0_1", + "electrolytes_scaled_sep__2984_C4H6O3_3_shell_573_0.74_0_1", + "electrolytes_scaled_sep__112_C2H6O_3_shell_214_0.74_0_1", + "electrolytes_scaled_sep__3729_Cl-1_3_group_6_shell_55_0.77_3_1", + "electrolytes_scaled_sep__1502_H2O_3_shell_308_0.8_0_1", + "electrolytes_scaled_sep__3498_C4H10O2_3_shell_693_0.75_0_1", + "electrolytes_scaled_sep__1116_F-1_3_group_49_shell_205_0.8_3_4", + "electrolytes_scaled_sep__3069_C4H11NO_3_shell_268_0.71_0_1", + "electrolytes_scaled_sep__2807_C6FH5_3_shell_589_0.78_0_1", + "electrolytes_scaled_sep__548_C6H2O4-2_3_group_10_shell_89_0.75_1_1", + "electrolytes_scaled_sep__1237_C2H4O4S_3_shell_1_0.71_0_1", + "electrolytes_scaled_sep__2284_CH4N2O_3_shell_2609_0.74_0_1", + "electrolytes_scaled_sep__2448_H2O_3_shell_506_0.77_0_1", + "electrolytes_scaled_sep__1089_C2H3O2-1_3_group_8_shell_81_0.74_1_1", + "electrolytes_scaled_sep__1505_BC4O8-1_3_group_173_shell_518_0.77_2_1", + "electrolytes_scaled_sep__2752_BC4O8-1_3_group_19_shell_127_0.77_-1_1", + "electrolytes_scaled_sep__305_C3FH3O3_3_shell_659_0.75_0_1", + "electrolytes_scaled_sep__33_H2O_3_shell_29_0.74_0_1", + "electrolytes_scaled_sep__67_Na+_3_group_1_shell_12_0.74_-1_1", + "electrolytes_scaled_sep__2534_C2H6O_3_shell_1919_0.77_0_1", + "electrolytes_scaled_sep__175_BF4-1_3_group_85_shell_736_0.73_2_1", + "electrolytes_scaled_sep__2247_C2H6O_3_shell_386_0.8_0_1", + "electrolytes_scaled_sep__1036_Cu+_3_group_5_shell_39_0.72_-1_1", + "electrolytes_scaled_sep__1810_ClO4-1_3_group_25_shell_215_0.72_-1_1", + "electrolytes_scaled_sep__3380_CH4O_3_shell_43_0.72_0_1", + "electrolytes_scaled_sep__458_Cl-1_3_group_11_shell_79_0.79_-1_1", + "electrolytes_scaled_sep__137_H2O_3_shell_67_0.79_0_1", + "electrolytes_scaled_sep__3515_C2H6O2_3_shell_594_0.77_0_1", + "electrolytes_scaled_sep__1216_C4H11NO_3_shell_51_0.79_0_1", + "electrolytes_scaled_sep__1522_C4H8O_3_shell_262_0.78_0_1", + "electrolytes_scaled_sep__1634_C6H15NO2_3_shell_864_0.75_0_1", + "electrolytes_scaled_sep__1848_CH4O_3_shell_358_0.78_0_1", + "electrolytes_scaled_sep__1528_C9H19NO_3_shell_641_0.74_0_1", + "electrolytes_scaled_sep__2496_AsF6-1_3_group_8_shell_66_0.79_-1_1", + "electrolytes_scaled_sep__1256_CH3NO2_3_shell_881_0.78_0_1", + "electrolytes_scaled_sep__3256_C4H12NO+_3_shell_1743_0.79_0_1", + "electrolytes_scaled_sep__1571_C3H8O_3_shell_740_0.73_0_1", + "electrolytes_scaled_sep__3155_CCl2H2_3_shell_57_0.71_0_1", + "electrolytes_scaled_sep__2907_BH4-1_3_group_7_shell_44_0.75_1_1", + "electrolytes_scaled_sep__588_NO3-1_3_group_13_shell_17_0.8_2_9", + "electrolytes_scaled_sep__2580_C3H8O3S_3_shell_481_0.72_0_1", + "electrolytes_scaled_sep__1660_C2H6O_3_shell_1408_0.8_0_1", + "electrolytes_scaled_sep__1707_K+_3_group_0_shell_5_0.72_1_1", + "electrolytes_scaled_sep__2372_C2H3O2-1_3_group_17_shell_170_0.8_2_4", + "electrolytes_scaled_sep__338_C4H5N_3_shell_3296_0.77_0_1", + "electrolytes_scaled_sep__3128_C2Cl2H4_3_shell_437_0.77_0_1", + "electrolytes_scaled_sep__900_H2O_3_shell_2_0.76_0_1", + "electrolytes_scaled_sep__129_C4H8O3_3_shell_81_0.75_0_1", + "electrolytes_scaled_sep__3381_CO3-2_3_group_19_shell_93_0.71_2_1", + "electrolytes_scaled_sep__124_BH4-1_3_group_13_shell_135_0.77_-1_1", + "electrolytes_scaled_sep__2540_ClO4-1_3_group_40_shell_119_0.78_-1_1", + "electrolytes_scaled_sep__679_C4H7N_3_shell_24_0.71_0_1", + "electrolytes_scaled_sep__191_C2F6NO4S2-1_3_group_136_shell_1148_0.74_1_1", + "electrolytes_scaled_sep__3640_Br-1_3_group_7_shell_39_0.74_1_1", + "electrolytes_scaled_sep__437_C2H5O-1_3_group_51_shell_87_0.8_0_1", + "electrolytes_scaled_sep__2129_C6H15NO2_3_shell_183_0.78_0_1", + "electrolytes_scaled_sep__790_Cu+_3_group_13_shell_49_0.77_0_1", + "electrolytes_scaled_sep__958_C2Cl2H4_3_shell_406_0.75_0_1", + "electrolytes_scaled_sep__1858_CH3NO2_3_shell_486_0.8_0_1", + "electrolytes_scaled_sep__159_ClO4-1_3_group_31_shell_319_0.71_3_1", + "electrolytes_scaled_sep__3152_CH3O-1_3_group_7_shell_50_0.7_3_1", + "electrolytes_scaled_sep__2545_F6P-1_3_group_109_shell_490_0.72_-1_1", + "electrolytes_scaled_sep__2040_O4S-2_3_group_68_shell_237_0.79_2_1", + "electrolytes_scaled_sep__3611_H2O_3_shell_93_0.78_0_1", + "electrolytes_scaled_sep__222_Al+3_3_group_2_shell_13_0.76_3_1", + "electrolytes_scaled_sep__3284_Rb+_3_group_11_shell_76_0.71_1_1", + "electrolytes_scaled_sep__1407_Ba+2_3_group_8_shell_65_0.75_1_1", + "electrolytes_scaled_sep__1970_C5H5N_3_shell_683_0.79_0_1", + "electrolytes_scaled_sep__2414_C4H11NO_3_shell_481_0.73_0_1", + "electrolytes_scaled_sep__436_H2O_3_shell_194_0.78_0_1", + "electrolytes_scaled_sep__419_Cl-1_3_group_18_shell_164_0.77_-1_1", + "electrolytes_scaled_sep__2843_O4P-3_3_group_10_shell_65_0.78_2_1", + "electrolytes_scaled_sep__2867_H2O_3_shell_71_0.8_0_1", + "electrolytes_scaled_sep__3570_C3H7O-1_3_group_12_shell_25_0.75_1_1", + "electrolytes_scaled_sep__2962_C2H6O_3_shell_103_0.78_0_1", + "electrolytes_scaled_sep__2834_C2H4O2-2_3_group_28_shell_181_0.8_-1_2", + "electrolytes_scaled_sep__2092_Be+2_3_group_14_shell_89_0.8_-2_1", + "electrolytes_scaled_sep__1740_CH4O_3_shell_1038_0.76_0_1", + "electrolytes_scaled_sep__1914_Zr+4_3_group_3_shell_25_0.79_0_1", + "electrolytes_scaled_sep__836_F2NO4S2-1_3_group_35_shell_247_0.77_1_1", + "electrolytes_scaled_sep__1195_H2O_3_shell_552_0.75_0_1", + "electrolytes_scaled_sep__137_NO3-1_3_group_154_shell_1442_0.74_4_1", + "electrolytes_scaled_sep__1833_Br3CH_3_shell_86_0.78_0_1", + "electrolytes_scaled_sep__741_C4H5N_3_shell_2063_0.77_0_1", + "electrolytes_scaled_sep__2953_C4H7N_3_shell_1475_0.76_0_1", + "electrolytes_scaled_sep__133_H2O_3_shell_84_0.73_0_1", + "electrolytes_scaled_sep__3494_C4H6O2_3_shell_155_0.7_0_1", + "electrolytes_scaled_sep__501_ClO4-1_3_group_8_shell_37_0.73_0_1", + "electrolytes_scaled_sep__963_I-1_3_group_19_shell_194_0.8_-1_1", + "electrolytes_scaled_sep__306_C3FH3O3_3_shell_556_0.77_0_1", + "electrolytes_scaled_sep__1322_CO3-2_3_group_7_shell_53_0.79_2_1", + "electrolytes_scaled_sep__2588_F-1_3_group_4_shell_40_0.73_2_1", + "electrolytes_scaled_sep__1867_C2H4O2-2_3_group_2_shell_13_0.79_3_1", + "electrolytes_scaled_sep__2283_C2H6O_3_shell_1698_0.75_0_1", + "electrolytes_scaled_sep__124_BH4-1_3_group_93_shell_738_0.79_-3_1", + "electrolytes_scaled_sep__3344_Sn+2_3_group_13_shell_86_0.78_1_1", + "electrolytes_scaled_sep__1274_C2H6O2_3_shell_17_0.74_0_1", + "electrolytes_scaled_sep__971_CH4N2O_3_shell_88_0.79_0_1", + "electrolytes_scaled_sep__75_HO-1_3_group_55_shell_375_0.8_0_1", + "electrolytes_scaled_sep__3522_Br2C2H4_3_shell_369_0.78_0_1", + "electrolytes_scaled_sep__3440_CH3NO2_3_shell_364_0.75_0_1", + "electrolytes_scaled_sep__505_H2O_3_shell_73_0.79_0_1", + "electrolytes_scaled_sep__1256_V+2_3_group_4_shell_29_0.75_0_4", + "electrolytes_scaled_sep__1832_Pt+2_3_group_3_shell_16_0.72_2_3", + "electrolytes_scaled_sep__3445_C2H6OS_3_shell_342_0.8_0_1", + "electrolytes_scaled_sep__3297_C2H3O2-1_3_group_24_shell_195_0.71_-1_1", + "electrolytes_scaled_sep__3574_Rb+_3_group_14_shell_87_0.77_1_1", + "electrolytes_scaled_sep__1457_C2H3O2-1_3_group_7_shell_71_0.8_6_1", + "electrolytes_scaled_sep__3039_C3H7O-1_3_group_3_shell_19_0.78_5_1", + "electrolytes_scaled_sep__3361_C2H6O2_3_shell_755_0.77_0_1", + "electrolytes_scaled_sep__2416_Ba+2_3_group_3_shell_29_0.77_1_1", + "electrolytes_scaled_sep__1515_C2H6O_3_shell_2095_0.73_0_1", + "electrolytes_scaled_sep__142_ClO4-1_3_group_70_shell_623_0.79_-2_1", + "electrolytes_scaled_sep__697_Cl-1_3_group_19_shell_159_0.74_1_4", + "electrolytes_scaled_sep__2443_F-1_3_group_23_shell_99_0.79_3_1", + "electrolytes_scaled_sep__3666_C4H8O2S_3_shell_1417_0.74_0_1", + "electrolytes_scaled_sep__3440_Cu+_3_group_10_shell_67_0.78_-2_1", + "electrolytes_scaled_sep__2206_HO-1_3_group_44_shell_135_0.79_3_4", + "electrolytes_scaled_sep__2995_ClO4-1_3_group_33_shell_226_0.78_-1_1", + "electrolytes_scaled_sep__412_C2H6O_3_shell_119_0.76_0_1", + "electrolytes_scaled_sep__2183_CCl3H_3_shell_511_0.75_0_1", + "electrolytes_scaled_sep__112_H2O_3_shell_320_0.71_0_1", + "electrolytes_scaled_sep__609_Al+3_3_group_1_shell_17_0.72_1_1", + "electrolytes_scaled_sep__77_H2O_3_shell_111_0.77_0_1", + "electrolytes_scaled_sep__2640_C3H7NO_3_shell_493_0.72_0_1", + "electrolytes_scaled_sep__2513_Cl-1_3_group_4_shell_40_0.71_-1_1", + "electrolytes_scaled_sep__617_C4H5N_3_shell_707_0.7_0_1", + "electrolytes_scaled_sep__3418_F6P-1_3_group_81_shell_327_0.77_-1_1", + "electrolytes_scaled_sep__1079_BF4-1_3_group_33_shell_131_0.78_-1_1", + "electrolytes_scaled_sep__3462_C4H11NO_3_shell_13_0.78_0_1", + "electrolytes_scaled_sep__1585_F2NO4S2-1_3_group_7_shell_39_0.78_5_1", + "electrolytes_scaled_sep__3087_C2H5O-1_3_group_14_shell_100_0.73_1_1", + "electrolytes_scaled_sep__433_Br-1_3_group_0_shell_5_0.75_-1_1", + "electrolytes_scaled_sep__2464_C12H14N2+2_3_shell_223_0.75_8_1", + "electrolytes_scaled_sep__3151_C4H7N_3_shell_13_0.72_0_1", + "electrolytes_scaled_sep__2241_NO3-1_3_group_32_shell_274_0.8_1_1", + "electrolytes_scaled_sep__569_Cr+3_3_group_1_shell_17_0.73_-2_4", + "electrolytes_scaled_sep__2643_CCl3H_3_shell_127_0.76_0_1", + "electrolytes_scaled_sep__1567_Rb+_3_group_7_shell_68_0.76_0_1", + "electrolytes_scaled_sep__726_Cl-1_3_group_46_shell_312_0.76_1_1", + "electrolytes_scaled_sep__1739_C6H15NO2_3_shell_10_0.78_0_1", + "electrolytes_scaled_sep__1371_C2H3O2-1_3_group_95_shell_128_0.74_1_1", + "electrolytes_scaled_sep__2137_F-1_3_group_80_shell_797_0.72_4_1", + "electrolytes_scaled_sep__2806_F-1_3_group_20_shell_154_0.73_4_5", + "electrolytes_scaled_sep__1669_CH3O-1_3_group_10_shell_77_0.78_-2_1", + "electrolytes_scaled_sep__3583_C6H15NO2_3_shell_4022_0.71_0_1", + "electrolytes_scaled_sep__3445_Cl-1_3_group_14_shell_97_0.79_1_9", + "electrolytes_scaled_sep__3278_CH4O_3_shell_27_0.8_0_1", + "electrolytes_scaled_sep__1911_ClO4-1_3_group_2_shell_15_0.79_1_5", + "electrolytes_scaled_sep__470_CF3O3S-1_3_group_58_shell_176_0.75_0_1", + "electrolytes_scaled_sep__71_O4S-2_3_group_12_shell_116_0.76_2_1", + "electrolytes_scaled_sep__3482_Ca+2_3_group_1_shell_18_0.79_-2_1", + "electrolytes_scaled_sep__1945_CH4O_3_shell_86_0.8_0_1", + "electrolytes_scaled_sep__3125_C4H7N_3_shell_607_0.78_0_1", + "electrolytes_scaled_sep__2282_CH4O_3_shell_1286_0.76_0_1", + "electrolytes_scaled_sep__590_C2H3O2-1_3_group_22_shell_39_0.75_0_1", + "electrolytes_scaled_sep__696_C3H6O3_3_shell_2414_0.77_0_1", + "electrolytes_scaled_sep__1122_O4S-2_3_group_37_shell_140_0.79_4_1", + "electrolytes_scaled_sep__412_C2H6O_3_shell_6_0.76_0_1", + "electrolytes_scaled_sep__2203_Rb+_3_group_6_shell_38_0.75_1_1", + "electrolytes_scaled_sep__250_C3H7NO_3_shell_522_0.77_0_1", + "electrolytes_scaled_sep__3536_ClO4-1_3_group_122_shell_470_0.77_6_1", + "electrolytes_scaled_sep__546_C6H2O4-2_3_group_2_shell_28_0.71_1_1", + "electrolytes_scaled_sep__2332_K+_3_group_7_shell_14_0.79_-1_1", + "electrolytes_scaled_sep__2631_F6P-1_3_group_2_shell_15_0.76_0_1", + "electrolytes_scaled_sep__2383_Br-1_3_group_1_shell_6_0.74_-1_1", + "electrolytes_scaled_sep__557_CH4N2O_3_shell_2184_0.78_0_1", + "electrolytes_scaled_sep__3146_AsF6-1_3_group_6_shell_32_0.74_-1_1", + "electrolytes_scaled_sep__2858_I-1_3_group_10_shell_96_0.71_-1_1", + "electrolytes_scaled_sep__2839_H2O_3_shell_58_0.73_0_1", + "electrolytes_scaled_sep__264_C2H3N_3_shell_959_0.71_0_1", + "electrolytes_scaled_sep__1097_C2H6O_3_shell_182_0.73_0_1", + "electrolytes_scaled_sep__869_C3FH3O3_3_shell_73_0.78_0_1", + "electrolytes_scaled_sep__1660_Br-1_3_group_33_shell_194_0.74_-1_1", + "electrolytes_scaled_sep__2978_Rb+_3_group_13_shell_93_0.8_1_1", + "electrolytes_scaled_sep__2696_C4H11NO_3_shell_5_0.8_0_1", + "electrolytes_scaled_sep__1814_CCl2H2_3_shell_84_0.74_0_1", + "electrolytes_scaled_sep__1646_CCl3H_3_shell_32_0.7_0_1", + "electrolytes_scaled_sep__2208_CH4O_3_shell_65_0.73_0_1", + "electrolytes_scaled_sep__840_CH4O_3_shell_1123_0.75_0_1", + "electrolytes_scaled_sep__520_Br-1_3_group_6_shell_26_0.76_-1_1", + "electrolytes_scaled_sep__191_K+_3_group_3_shell_38_0.78_0_1", + "electrolytes_scaled_sep__425_Br3CH_3_shell_92_0.75_0_1", + "electrolytes_scaled_sep__728_F-1_3_group_18_shell_34_0.79_3_5", + "electrolytes_scaled_sep__1475_C2H4O4S_3_shell_106_0.7_0_1", + "electrolytes_scaled_sep__1977_C9H19NO_3_shell_101_0.77_0_1", + "electrolytes_scaled_sep__3666_K+_3_group_11_shell_52_0.77_0_1", + "electrolytes_scaled_sep__3012_Ag+_3_group_50_shell_325_0.79_1_1", + "electrolytes_scaled_sep__3174_Rb+_3_group_10_shell_66_0.71_-3_1", + "electrolytes_scaled_sep__410_Al+3_3_group_24_shell_118_0.73_-1_1", + "electrolytes_scaled_sep__2977_C3H8O_3_shell_1660_0.75_0_1", + "electrolytes_scaled_sep__1070_H2O_3_shell_172_0.73_0_1", + "electrolytes_scaled_sep__201_CF3O3S-1_3_group_175_shell_1707_0.76_2_1", + "electrolytes_scaled_sep__2021_Br2C2H4_3_shell_16_0.74_0_1", + "electrolytes_scaled_sep__1753_H2O_3_shell_23_0.71_0_1", + "electrolytes_scaled_sep__1083_I-1_3_group_10_shell_56_0.72_-1_1", + "electrolytes_scaled_sep__571_C3H7O-1_3_group_7_shell_68_0.75_-1_1", + "electrolytes_scaled_sep__1860_BH4-1_3_group_34_shell_159_0.75_2_1", + "electrolytes_scaled_sep__1106_Tl+3_3_group_19_shell_129_0.79_-1_1", + "electrolytes_scaled_sep__3593_Cs+_3_group_4_shell_37_0.74_1_1", + "electrolytes_scaled_sep__1304_C4H8O_3_shell_317_0.79_0_1", + "electrolytes_scaled_sep__2380_I-1_3_group_11_shell_66_0.76_-1_1", + "electrolytes_scaled_sep__802_Tl+3_3_group_16_shell_73_0.8_-2_1", + "electrolytes_scaled_sep__2805_C6FH5_3_shell_109_0.71_0_1", + "electrolytes_scaled_sep__2098_C2H6O2_3_shell_689_0.75_0_1", + "electrolytes_scaled_sep__3700_C2H3N_3_shell_854_0.72_0_1", + "electrolytes_scaled_sep__1503_C6H5NO2_3_shell_649_0.73_0_1", + "electrolytes_scaled_sep__468_H4N+_3_group_18_shell_117_0.8_0_1", + "electrolytes_scaled_sep__3665_Na+_3_group_8_shell_45_0.78_0_1", + "electrolytes_scaled_sep__3103_C6H15NO2_3_shell_303_0.74_0_1", + "electrolytes_scaled_sep__2015_H2O_3_shell_8_0.74_0_1", + "electrolytes_scaled_sep__2066_CCl3H_3_shell_9_0.74_0_1", + "electrolytes_scaled_sep__83_F2NO4S2-1_3_group_285_shell_2344_0.77_1_1", + "electrolytes_scaled_sep__3354_C3H7NO_3_shell_58_0.72_0_1", + "electrolytes_scaled_sep__756_BC4O8-1_3_group_142_shell_311_0.7_-1_1", + "electrolytes_scaled_sep__1081_Ag+_3_group_29_shell_189_0.77_1_1", + "electrolytes_scaled_sep__2286_Br-1_3_group_5_shell_45_0.76_-1_1", + "electrolytes_scaled_sep__30_Cl-1_3_group_19_shell_189_0.76_0_1", + "electrolytes_scaled_sep__297_C3H8O_3_shell_342_0.72_0_1", + "electrolytes_scaled_sep__2990_H2O_3_shell_1247_0.8_0_1", + "electrolytes_scaled_sep__1003_C4H11NO_3_shell_681_0.72_0_1", + "electrolytes_scaled_sep__3373_C2Cl2H4_3_shell_163_0.71_0_1", + "electrolytes_scaled_sep__437_HO-1_3_group_62_shell_177_0.74_1_1", + "electrolytes_scaled_sep__703_C3H8O_3_shell_2557_0.76_0_1", + "electrolytes_scaled_sep__1323_CH3NO2_3_shell_107_0.79_0_1", + "electrolytes_scaled_sep__2978_H2O_3_shell_13_0.76_0_1", + "electrolytes_scaled_sep__633_C3H4O3_3_shell_1267_0.71_0_1", + "electrolytes_scaled_sep__3448_C3H7NO_3_shell_325_0.78_0_1", + "electrolytes_scaled_sep__2996_C2H6O_3_shell_134_0.77_0_1", + "electrolytes_scaled_sep__79_CF3O3S-1_3_group_7_shell_78_0.79_-2_1", + "electrolytes_scaled_sep__2820_C3H6O3_3_shell_1059_0.7_0_1", + "electrolytes_scaled_sep__178_Cl-1_3_group_12_shell_123_0.78_-1_1", + "electrolytes_scaled_sep__3130_C4H7N_3_shell_286_0.74_0_1", + "electrolytes_scaled_sep__1290_O2V+_3_group_9_shell_93_0.75_3_1", + "electrolytes_scaled_sep__3384_Br2C2H4_3_shell_71_0.77_0_1", + "electrolytes_scaled_sep__848_Tl+3_3_group_6_shell_59_0.76_0_1", + "electrolytes_scaled_sep__31_Li+_3_group_6_shell_66_0.77_0_1", + "electrolytes_scaled_sep__3639_C2H3N_3_shell_423_0.71_0_1", + "electrolytes_scaled_sep__3071_H3O+_3_group_16_shell_122_0.76_1_1", + "electrolytes_scaled_sep__3054_Ti+_3_group_0_shell_8_0.76_0_4", + "electrolytes_scaled_sep__3215_C2H5O-1_3_group_4_shell_19_0.78_-1_1", + "electrolytes_scaled_sep__2975_C4H6O3_3_shell_215_0.76_0_1", + "electrolytes_scaled_sep__1860_C3FH3O3_3_shell_404_0.72_0_1", + "electrolytes_scaled_sep__580_CH4O_3_shell_302_0.73_0_1", + "electrolytes_scaled_sep__760_C6H15O4P_3_shell_2127_0.73_0_1", + "electrolytes_scaled_sep__3224_C2H3O2-1_3_group_9_shell_77_0.76_-1_1", + "electrolytes_scaled_sep__2574_Cu+_3_group_24_shell_92_0.78_0_1", + "electrolytes_scaled_sep__1571_Br-1_3_group_8_shell_74_0.78_-1_1", + "electrolytes_scaled_sep__3349_Ca+2_3_group_1_shell_15_0.78_0_1", + "electrolytes_scaled_sep__1153_Sn+2_3_group_7_shell_68_0.73_0_1", + "electrolytes_scaled_sep__3498_BC4O8-1_3_group_35_shell_107_0.79_-1_1", + "electrolytes_scaled_sep__198_C2H3O2-1_3_group_233_shell_2245_0.76_0_1", + "electrolytes_scaled_sep__2398_C3H8O_3_shell_77_0.74_0_1", + "electrolytes_scaled_sep__1034_F-1_3_group_35_shell_266_0.78_2_1", + "electrolytes_scaled_sep__953_BC4O8-1_3_group_67_shell_451_0.77_-1_1", + "electrolytes_scaled_sep__3423_C3H8O_3_shell_396_0.77_0_1", + "electrolytes_scaled_sep__2013_AsF6-1_3_group_49_shell_252_0.78_-1_1", + "electrolytes_scaled_sep__3754_Li+_3_group_13_shell_53_0.74_-2_1", + "electrolytes_scaled_sep__846_Tl+3_3_group_4_shell_28_0.75_2_1", + "electrolytes_scaled_sep__2101_C6H2O4-2_3_group_4_shell_45_0.79_4_1", + "electrolytes_scaled_sep__554_H2O_3_shell_1592_0.73_0_1", + "electrolytes_scaled_sep__633_Sn+2_3_group_0_shell_6_0.72_1_1", + "electrolytes_scaled_sep__645_ClO4-1_3_group_21_shell_32_0.72_-1_1", + "electrolytes_scaled_sep__842_C3FH3O3_3_shell_1432_0.75_0_1", + "electrolytes_scaled_sep__390_C4H8O2_3_shell_461_0.73_0_1", + "electrolytes_scaled_sep__969_Cu+2_3_group_1_shell_11_0.79_0_2", + "electrolytes_scaled_sep__110_H2O_3_shell_110_0.79_0_1", + "electrolytes_scaled_sep__3352_F-1_3_group_22_shell_91_0.8_1_1", + "electrolytes_scaled_sep__2502_C4H11NO_3_shell_7_0.79_0_1", + "electrolytes_scaled_sep__1264_F-1_3_group_11_shell_107_0.79_1_1", + "electrolytes_scaled_sep__3444_F-1_3_group_33_shell_197_0.72_4_1", + "electrolytes_scaled_sep__361_Sn+2_3_group_5_shell_29_0.76_2_1", + "electrolytes_scaled_sep__2181_Cs+_3_group_1_shell_10_0.79_0_1", + "electrolytes_scaled_sep__1752_C2H5O-1_3_group_13_shell_118_0.74_0_4", + "electrolytes_scaled_sep__2848_CHO3-1_3_group_13_shell_38_0.77_1_1", + "electrolytes_scaled_sep__3649_C3H7NO_3_shell_1857_0.77_0_1", + "electrolytes_scaled_sep__3522_C3H7O-1_3_group_211_shell_332_0.78_2_1", + "electrolytes_scaled_sep__1315_C4H12NO+_3_shell_243_0.78_3_1", + "electrolytes_scaled_sep__1234_C2H6O2_3_shell_1192_0.75_0_1", + "electrolytes_scaled_sep__2954_C2H6OS_3_shell_239_0.76_0_1", + "electrolytes_scaled_sep__541_C3H8O3S_3_shell_252_0.78_0_1", + "electrolytes_scaled_sep__1128_C3H7O-1_3_group_4_shell_32_0.76_0_1", + "electrolytes_scaled_sep__690_C6H14_3_shell_589_0.73_0_1", + "electrolytes_scaled_sep__289_CH4N2O_3_shell_774_0.77_0_1", + "electrolytes_scaled_sep__3190_C4F3H6O2-1_3_group_124_shell_182_0.75_1_1", + "electrolytes_scaled_sep__529_C2H3O2-1_3_group_38_shell_280_0.8_4_1", + "electrolytes_scaled_sep__3010_CH4N2O_3_shell_1951_0.79_0_1", + "electrolytes_scaled_sep__210_C4H6O3_3_shell_9_0.72_0_1", + "electrolytes_scaled_sep__2021_Al+3_3_group_4_shell_34_0.71_-1_1", + "electrolytes_scaled_sep__900_F6P-1_3_group_3_shell_31_0.74_-1_1", + "electrolytes_scaled_sep__3551_C6H6_3_shell_1864_0.79_0_1", + "electrolytes_scaled_sep__1526_C4H8O_3_shell_1583_0.71_0_1", + "electrolytes_scaled_sep__306_C3FH3O3_3_shell_577_0.76_0_1", + "electrolytes_scaled_sep__667_C2H3N_3_shell_1699_0.76_0_1", + "electrolytes_scaled_sep__2617_C3H8O_3_shell_88_0.71_0_1", + "electrolytes_scaled_sep__3549_Br2C2H4_3_shell_519_0.78_0_1", + "electrolytes_scaled_sep__3692_C4H8O_3_shell_1654_0.79_0_1", + "electrolytes_scaled_sep__3584_Cs+_3_group_8_shell_53_0.74_1_1", + "electrolytes_scaled_sep__186_F2NO4S2-1_3_group_89_shell_589_0.76_-1_1", + "electrolytes_scaled_sep__2063_Br3CH_3_shell_228_0.7_0_1", + "electrolytes_scaled_sep__2007_H2O_3_shell_716_0.79_0_1", + "electrolytes_scaled_sep__10_H2O_3_shell_40_0.78_0_1", + "electrolytes_scaled_sep__1973_C9H18NO-1_3_group_65_shell_127_0.76_1_1", + "electrolytes_scaled_sep__2793_C4H11NO_3_shell_345_0.79_0_1", + "electrolytes_scaled_sep__2596_Tl+3_3_group_21_shell_110_0.7_1_1", + "electrolytes_scaled_sep__1532_Br2C2H4_3_shell_262_0.71_0_1", + "electrolytes_scaled_sep__2772_CH3NO2_3_shell_964_0.75_0_1", + "electrolytes_scaled_sep__3593_BF4-1_3_group_13_shell_31_0.79_-1_1", + "electrolytes_scaled_sep__293_CH3NO2_3_shell_477_0.78_0_1", + 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"electrolytes_scaled_sep/1520_C4H8O_3_shell_233_0.76_0_1", + "electrolytes_scaled_sep/1082_F-1_3_group_0_shell_7_0.74_-1_1", + "electrolytes_scaled_sep/3412_F2NO4S2-1_3_group_26_shell_71_0.77_0_2", + "electrolytes_scaled_sep/2416_CH4O_3_shell_72_0.72_0_1", + "electrolytes_scaled_sep/445_Sr+2_3_group_1_shell_10_0.78_-1_1", + "electrolytes_scaled_sep/1216_OV+2_3_group_3_shell_27_0.71_0_2", + "electrolytes_scaled_sep/1028_C3H6O_3_shell_984_0.8_0_1", + "electrolytes_scaled_sep/2979_BF4-1_3_group_145_shell_521_0.76_1_1", + "electrolytes_scaled_sep/1647_Tl+3_3_group_15_shell_97_0.79_1_1", + "electrolytes_scaled_sep/179_C3H4O3_3_shell_172_0.73_0_1", + "electrolytes_scaled_sep/1737_I-1_3_group_2_shell_20_0.72_1_1", + "electrolytes_scaled_sep/3060_I-1_3_group_3_shell_27_0.78_-1_1", + "electrolytes_scaled_sep/3073_C4H11NO_3_shell_553_0.73_0_1", + "electrolytes_scaled_sep/3343_HO-1_3_group_11_shell_99_0.71_1_1", + "electrolytes_scaled_sep/2076_Br2C2H4_3_shell_174_0.78_0_1", + "electrolytes_scaled_sep/673_Li+_3_group_0_shell_5_0.73_0_1", + "electrolytes_scaled_sep/3284_H2O_3_shell_766_0.8_0_1", + "electrolytes_scaled_sep/3231_C6H15NO2_3_shell_569_0.79_0_1", + "electrolytes_scaled_sep/2794_C4H11NO_3_shell_322_0.73_0_1", + "electrolytes_scaled_sep/2012_H3O+_3_group_19_shell_124_0.79_0_1", + "electrolytes_scaled_sep/424_Na+_3_group_6_shell_41_0.75_-2_1", + "electrolytes_scaled_sep/3384_BF4-1_3_group_7_shell_59_0.75_0_1", + "electrolytes_scaled_sep/2585_CH3O-1_3_group_8_shell_52_0.74_-1_1", + "electrolytes_scaled_sep/3071_Pd+2_3_group_2_shell_24_0.78_1_3", + "electrolytes_scaled_sep/1402_O2V+_3_group_12_shell_78_0.74_-3_1", + "electrolytes_scaled_sep/862_C2F6NO4S2-1_3_group_87_shell_154_0.79_0_1", + "electrolytes_scaled_sep/3524_Br2C2H4_3_shell_115_0.74_0_1", + "electrolytes_scaled_sep/407_CH4N2O_3_shell_3067_0.77_0_1", + "electrolytes_scaled_sep/3655_Br-1_3_group_1_shell_12_0.73_-1_1", + "electrolytes_scaled_sep/329_Li+_3_group_7_shell_74_0.79_-1_1", + "electrolytes_scaled_sep/345_CH4O_3_shell_149_0.79_0_1", + "electrolytes_scaled_sep/948_CHO3-1_3_group_8_shell_82_0.78_1_1", + "electrolytes_scaled_sep/2969_H2O_3_shell_108_0.77_0_1", + "electrolytes_scaled_sep/3146_Br3CH_3_shell_730_0.72_0_1", + "electrolytes_scaled_sep/440_F6P-1_3_group_15_shell_83_0.77_-1_1", + "electrolytes_scaled_sep/1306_C4H8O_3_shell_405_0.73_0_1", + "electrolytes_scaled_sep/3057_H4N+_3_group_34_shell_158_0.75_0_1", + "electrolytes_scaled_sep/1874_H2O_3_shell_401_0.73_0_1", + "electrolytes_scaled_sep/1568_BF4-1_3_group_29_shell_234_0.73_0_1", + "electrolytes_scaled_sep/1022_BF4-1_3_group_5_shell_57_0.72_3_1", + "electrolytes_scaled_sep/366_C2H6O_3_shell_5_0.75_0_1", + "electrolytes_scaled_sep/3659_C2H5NO_3_shell_673_0.72_0_1", + "electrolytes_scaled_sep/1196_C6H15NO2_3_shell_2879_0.79_0_1", + "electrolytes_scaled_sep/3022_Na+_3_group_5_shell_48_0.76_-2_1", + "electrolytes_scaled_sep/118_C4H6O3_3_shell_294_0.76_0_1", + "electrolytes_scaled_sep/555_C3H8O_3_shell_1812_0.74_0_1", + "electrolytes_scaled_sep/3474_C6H5NO2_3_shell_49_0.79_0_1", + "electrolytes_scaled_sep/1748_H2O_3_shell_283_0.77_0_1", + "electrolytes_scaled_sep/3523_C4H8O_3_shell_692_0.8_0_1", + "electrolytes_scaled_sep/72_Na+_3_group_13_shell_92_0.73_-2_1", + "electrolytes_scaled_sep/500_CH4O_3_shell_595_0.75_0_1", + "electrolytes_scaled_sep/2245_CCl3H_3_shell_108_0.72_0_1", + "electrolytes_scaled_sep/3194_BF4-1_3_group_39_shell_232_0.77_1_1", + "electrolytes_scaled_sep/968_In+3_3_group_0_shell_3_0.79_3_1", + "electrolytes_scaled_sep/1181_C2H4O2-2_3_group_14_shell_112_0.76_0_1", + "electrolytes_scaled_sep/3092_NO3-1_3_group_21_shell_140_0.74_5_1", + "electrolytes_scaled_sep/1737_Tl+3_3_group_7_shell_65_0.79_3_1", + "electrolytes_scaled_sep/1146_H3O+_3_group_24_shell_104_0.77_0_1", + "electrolytes_scaled_sep/3232_Rb+_3_group_13_shell_92_0.78_0_1", + "electrolytes_scaled_sep/3182_BF4-1_3_group_62_shell_121_0.75_0_1", + "electrolytes_scaled_sep/3460_NO3-1_3_group_3_shell_31_0.7_3_1", + "electrolytes_scaled_sep/2246_BH4-1_3_group_56_shell_284_0.71_0_1", + "electrolytes_scaled_sep/2779_Br-1_3_group_1_shell_13_0.79_1_4", + "electrolytes_scaled_sep/1948_Br2C2H4_3_shell_25_0.78_0_1", + "electrolytes_scaled_sep/361_Br-1_3_group_8_shell_49_0.8_1_1", + "electrolytes_scaled_sep/2463_Ag+_3_group_0_shell_6_0.75_0_1", + "electrolytes_scaled_sep/672_CH3NO2_3_shell_1394_0.77_0_1", + "electrolytes_scaled_sep/1570_Sn+2_3_group_11_shell_89_0.72_1_1", + "electrolytes_scaled_sep/939_OV+2_3_group_1_shell_14_0.79_0_2", + "electrolytes_scaled_sep/3288_C3H9O4P_3_shell_270_0.72_0_1", + "electrolytes_scaled_sep/904_O4S-2_3_group_66_shell_202_0.75_-2_1", + "electrolytes_scaled_sep/3400_OV+2_3_group_13_shell_85_0.73_1_2", + "electrolytes_scaled_sep/2595_HO-1_3_group_0_shell_0_0.78_2_1", + "electrolytes_scaled_sep/672_NO3-1_3_group_15_shell_55_0.75_1_1", + "electrolytes_scaled_sep/3350_F-1_3_group_30_shell_134_0.78_3_1", + "electrolytes_scaled_sep/2168_H2O_3_shell_140_0.72_0_1", + "electrolytes_scaled_sep/918_CH3NO2_3_shell_228_0.72_0_1", + "electrolytes_scaled_sep/2846_O2V+_3_group_42_shell_200_0.76_-2_1", + "electrolytes_scaled_sep/1767_C4H8O2_3_shell_450_0.75_0_1", + "electrolytes_scaled_sep/1665_Tl+3_3_group_15_shell_94_0.77_1_1", + "electrolytes_scaled_sep/3330_C2H6O_3_shell_7_0.77_0_1", + "electrolytes_scaled_sep/1409_F-1_3_group_3_shell_30_0.77_1_6", + "electrolytes_scaled_sep/2200_Sr+2_3_group_41_shell_251_0.72_1_1", + "electrolytes_scaled_sep/3317_Cl-1_3_group_9_shell_64_0.72_1_1", + "electrolytes_scaled_sep/2102_C6H2O4-2_3_group_8_shell_31_0.78_3_1", + "electrolytes_scaled_sep/756_C6H6_3_shell_2070_0.75_0_1", + "electrolytes_scaled_sep/2383_Br-1_3_group_0_shell_1_0.77_1_2", + "electrolytes_scaled_sep/2439_H2O_3_shell_22_0.77_0_1", + "electrolytes_scaled_sep/1234_H2O_3_shell_1008_0.73_0_1", + "electrolytes_scaled_sep/976_C2F6NO4S2-1_3_group_19_shell_84_0.79_0_5", + "electrolytes_scaled_sep/2830_C4H11NO_3_shell_66_0.8_0_1", + "electrolytes_scaled_sep/1369_H2O_3_shell_572_0.77_0_1", + "electrolytes_scaled_sep/3451_C4H11NO_3_shell_858_0.75_0_1", + "electrolytes_scaled_sep/1166_F2NO4S2-1_3_shell_1070_0.79_2_1", + "electrolytes_scaled_sep/1430_C3H4O3_3_shell_568_0.75_0_1", + "electrolytes_scaled_sep/2604_CHO3-1_3_group_2_shell_20_0.73_-1_1", + "electrolytes_scaled_sep/3628_C3H8O3S_3_shell_2292_0.74_0_1", + "electrolytes_scaled_sep/6_C3H4O3_3_shell_609_0.75_0_1", + "electrolytes_scaled_sep/33_H2O_3_shell_54_0.74_0_1", + "electrolytes_scaled_sep/3613_CCl2H2_3_shell_980_0.7_0_1", + "electrolytes_scaled_sep/3345_C4H11NO_3_shell_41_0.75_0_1", + "electrolytes_scaled_sep/3276_H3O+_3_group_0_shell_3_0.78_-1_1", + "electrolytes_scaled_sep/1006_CH4O_3_shell_432_0.78_0_1", + "electrolytes_scaled_sep/1576_C6H15N_3_shell_88_0.8_0_1", + "electrolytes_scaled_sep/2449_CHO3-1_3_group_8_shell_19_0.72_-3_1", + "electrolytes_scaled_sep/3005_Al+3_3_group_1_shell_19_0.78_3_1", + "electrolytes_scaled_sep/746_H3O+_3_group_57_shell_146_0.71_0_1", + "electrolytes_scaled_sep/3694_C2H5O-1_3_group_64_shell_135_0.79_1_1", + "electrolytes_scaled_sep/555_HO-1_3_group_37_shell_58_0.8_1_1", + "electrolytes_scaled_sep/1914_Cl-1_3_group_8_shell_81_0.71_-1_1", + "electrolytes_scaled_sep/236_Tl+3_3_group_1_shell_17_0.74_1_1", + "electrolytes_scaled_sep/2314_I-1_3_group_5_shell_33_0.76_3_3", + "electrolytes_scaled_sep/1336_Al+3_3_group_9_shell_93_0.76_3_1", + "electrolytes_scaled_sep/1331_BH4-1_3_group_2_shell_26_0.8_0_3", + "electrolytes_scaled_sep/656_Br-1_3_group_4_shell_42_0.8_1_2", + "electrolytes_scaled_sep/1537_CH4N2O_3_shell_449_0.79_0_1", + "electrolytes_scaled_sep/2160_Sn+2_3_group_6_shell_54_0.7_0_1", + "electrolytes_scaled_sep/1264_C2H5O-1_3_group_5_shell_48_0.75_1_1", + "electrolytes_scaled_sep/2729_CH4O_3_shell_930_0.75_0_1", + "electrolytes_scaled_sep/2438_Sn+2_3_group_12_shell_88_0.73_1_1", + "electrolytes_scaled_sep/1772_C4H11NO_3_shell_94_0.77_0_1", + "electrolytes_scaled_sep/2448_H2O_3_shell_927_0.72_0_1", + "electrolytes_scaled_sep/3193_BF4-1_3_group_8_shell_81_0.79_2_1", + "electrolytes_scaled_sep/705_C3H8O_3_shell_2198_0.76_0_1", + "electrolytes_scaled_sep/1251_C2H6OS_3_shell_333_0.76_0_1", + "electrolytes_scaled_sep/3425_C2H6O_3_shell_876_0.76_0_1", + "electrolytes_scaled_sep/970_C2H3O2-1_3_group_22_shell_147_0.71_-1_1", + "electrolytes_scaled_sep/2868_O2V+_3_group_12_shell_113_0.79_0_1", + "electrolytes_scaled_sep/785_Rb+_3_group_4_shell_30_0.75_0_1", + "electrolytes_scaled_sep/1814_Hg+2_3_group_16_shell_100_0.76_-2_1", + "electrolytes_scaled_sep/981_BF4-1_3_group_1_shell_11_0.75_-1_1", + "electrolytes_scaled_sep/2346_C3H8O3S_3_shell_146_0.73_0_1", + "electrolytes_scaled_sep/2828_Br2C2H4_3_shell_19_0.75_0_1", + "electrolytes_scaled_sep/2420_CHO3-1_3_group_13_shell_94_0.8_0_1", + "electrolytes_scaled_sep/3358_Br-1_3_group_25_shell_122_0.79_2_4", + "electrolytes_scaled_sep/3063_Cs+_3_group_10_shell_73_0.8_0_1", + "electrolytes_scaled_sep/607_AsF6-1_3_group_0_shell_1_0.72_-1_1", + "electrolytes_scaled_sep/1271_C3H7O-1_3_group_27_shell_220_0.72_-1_1", + "electrolytes_scaled_sep/2448_Tl+3_3_group_21_shell_137_0.76_-1_1", + "electrolytes_scaled_sep/1217_HO-1_3_group_11_shell_75_0.78_3_3", + "electrolytes_scaled_sep/94_F6P-1_3_group_18_shell_164_0.79_-1_1", + "electrolytes_scaled_sep/61_C3H6O3_3_shell_601_0.78_0_1", + "electrolytes_scaled_sep/1578_Rb+_3_group_11_shell_103_0.72_0_1", + "electrolytes_scaled_sep/2172_O4S-2_3_group_1_shell_6_0.79_2_1", + "electrolytes_scaled_sep/2180_BH4-1_3_group_5_shell_38_0.7_0_1", + "electrolytes_scaled_sep/1330_BH4-1_3_group_12_shell_89_0.75_1_1", + "electrolytes_scaled_sep/2505_H2O_3_shell_95_0.72_0_1", + "electrolytes_scaled_sep/2466_Cl-1_3_shell_13_0.74_5_1", + "electrolytes_scaled_sep/3291_Hf+4_3_group_0_shell_9_0.71_4_1", + "electrolytes_scaled_sep/1336_Al+3_3_group_6_shell_54_0.75_2_1", + "electrolytes_scaled_sep/2324_Na+_3_group_8_shell_48_0.73_1_1", + "electrolytes_scaled_sep/2746_Rb+_3_group_8_shell_53_0.71_1_1", + "electrolytes_scaled_sep/3662_C2H5O-1_3_group_62_shell_255_0.8_-1_1", + "electrolytes_scaled_sep/992_Br3CH_3_shell_9_0.74_0_1", + "electrolytes_scaled_sep/3696_C6H4O4_3_shell_860_0.8_0_1", + "electrolytes_scaled_sep/2871_CH4N2O_3_shell_57_0.79_0_1", + "electrolytes_scaled_sep/1234_C4H11NO_3_shell_3338_0.71_0_1", + "electrolytes_scaled_sep/3116_C2H6O2_3_shell_129_0.73_0_1", + "electrolytes_scaled_sep/67_H2O_3_shell_110_0.73_0_1", + "electrolytes_scaled_sep/1357_C3H8O_3_shell_151_0.8_0_1", + "electrolytes_scaled_sep/2644_CCl3H_3_shell_3_0.77_0_1", + "electrolytes_scaled_sep/1368_C4F3H5O2_3_shell_85_0.78_0_1", + "electrolytes_scaled_sep/2611_C6H15NO2_3_shell_92_0.76_0_1", + "electrolytes_scaled_sep/1567_Rb+_3_group_11_shell_97_0.77_-1_1", + "electrolytes_scaled_sep/688_F2O2P-1_3_group_59_shell_75_0.8_0_1", + "electrolytes_scaled_sep/2036_C3H7NO_3_shell_116_0.79_0_1", + "electrolytes_scaled_sep/3611_C4H8O_3_shell_3391_0.78_0_1", + "electrolytes_scaled_sep/1147_C2H6O2_3_shell_2604_0.74_0_1", + "electrolytes_scaled_sep/3582_BF4-1_3_group_4_shell_7_0.75_-1_1", + "electrolytes_scaled_sep/1328_H2O_3_shell_150_0.7_0_1", + "electrolytes_scaled_sep/1688_HO-1_3_group_27_shell_86_0.71_3_1", + "electrolytes_scaled_sep/1423_C2H5O-1_3_group_163_shell_365_0.79_1_2", + "electrolytes_scaled_sep/3464_Cl-1_3_group_3_shell_32_0.71_1_3", + "electrolytes_scaled_sep/836_H2O_3_shell_275_0.78_0_1", + "electrolytes_scaled_sep/753_ClO4-1_3_group_16_shell_53_0.78_-1_1", + "electrolytes_scaled_sep/420_Cr+3_3_group_6_shell_28_0.72_-1_4", + "electrolytes_scaled_sep/2425_Cr+3_3_group_2_shell_25_0.72_3_4", + "electrolytes_scaled_sep/3195_BF4-1_3_group_5_shell_43_0.78_-1_1", + "electrolytes_scaled_sep/1926_CH4O_3_shell_62_0.78_0_1", + "electrolytes_scaled_sep/1578_Rb+_3_group_15_shell_142_0.79_-2_1", + "electrolytes_scaled_sep/1386_C4H8O3_3_shell_934_0.79_0_1", + "electrolytes_scaled_sep/3190_CCl3H_3_shell_407_0.73_0_1", + "electrolytes_scaled_sep/3354_HO-1_3_group_2_shell_22_0.76_1_5", + "electrolytes_scaled_sep/3227_In+3_3_group_6_shell_63_0.76_2_1", + "electrolytes_scaled_sep/1250_ClO4-1_3_group_8_shell_68_0.78_-1_1", + "electrolytes_scaled_sep/1710_C3H8O_3_shell_650_0.75_0_1", + "electrolytes_scaled_sep/1438_H2O_3_shell_1398_0.73_0_1", + "electrolytes_scaled_sep/400_Rb+_3_group_3_shell_37_0.79_-3_1", + "electrolytes_scaled_sep/3379_F-1_3_group_30_shell_211_0.72_3_3", + "electrolytes_scaled_sep/3546_C3H8O3S_3_shell_353_0.77_0_1", + "electrolytes_scaled_sep/1694_H2O_3_shell_115_0.75_0_1", + "electrolytes_scaled_sep/1506_BC4O8-1_3_group_73_shell_299_0.8_-2_1", + "electrolytes_scaled_sep/2958_CO3-2_3_group_7_shell_72_0.75_4_1", + "electrolytes_scaled_sep/1109_C6H15NO2_3_shell_3067_0.76_0_1", + "electrolytes_scaled_sep/3239_C2H3O2-1_3_group_10_shell_70_0.73_1_1", + "electrolytes_scaled_sep/2782_Br-1_3_group_10_shell_94_0.77_-1_1", + "electrolytes_scaled_sep/1337_CH4O_3_shell_67_0.71_0_1", + "electrolytes_scaled_sep/1875_H2O_3_shell_77_0.7_0_1", + "electrolytes_scaled_sep/893_ClO4-1_3_group_11_shell_113_0.71_1_3", + "electrolytes_scaled_sep/1740_I-1_3_group_14_shell_79_0.78_1_1", + "electrolytes_scaled_sep/2640_F-1_3_group_11_shell_76_0.78_2_3", + "electrolytes_scaled_sep/491_Ca+2_3_group_7_shell_70_0.73_0_1", + "electrolytes_scaled_sep/3014_C2H6O_3_shell_2383_0.71_0_1", + "electrolytes_scaled_sep/2128_F-1_3_group_21_shell_121_0.73_3_1", + "electrolytes_scaled_sep/206_K+_3_group_5_shell_53_0.75_-2_1", + "electrolytes_scaled_sep/2911_CO3-2_3_group_2_shell_13_0.73_0_5", + "electrolytes_scaled_sep/1128_CH3O-1_3_group_0_shell_9_0.78_-1_1", + "electrolytes_scaled_sep/404_C6H2O4-2_3_group_7_shell_36_0.8_1_1", + "electrolytes_scaled_sep/296_CCl2H2_3_shell_72_0.74_0_1", + "electrolytes_scaled_sep/3190_F6P-1_3_group_57_shell_86_0.75_1_1", + "electrolytes_scaled_sep/108_H2O_3_shell_77_0.76_0_1", + "electrolytes_scaled_sep/2131_C3H8O_3_shell_62_0.74_0_1", + "electrolytes_scaled_sep/1834_Br3CH_3_shell_52_0.79_0_1", + "electrolytes_scaled_sep/3526_O2V+_3_group_7_shell_58_0.75_1_3", + "electrolytes_scaled_sep/1191_C4H6O3_3_shell_87_0.76_0_1", + "electrolytes_scaled_sep/1676_H2O_3_shell_428_0.78_0_1", + "electrolytes_scaled_sep/1503_C2H3N_3_shell_226_0.79_0_1", + "electrolytes_scaled_sep/2183_CCl3H_3_shell_505_0.73_0_1", + "electrolytes_scaled_sep/2940_H2O_3_shell_115_0.79_0_1", + "electrolytes_scaled_sep/2497_O2V+_3_group_4_shell_44_0.72_0_1", + "electrolytes_scaled_sep/2958_CO3-2_3_group_12_shell_126_0.78_2_1", + "electrolytes_scaled_sep/3642_C3H8O3S_3_shell_2317_0.79_0_1", + "electrolytes_scaled_sep/189_C2F6NO4S2-1_3_group_32_shell_268_0.8_1_1", + "electrolytes_scaled_sep/2060_Br2C2H4_3_shell_10_0.74_0_1", + "electrolytes_scaled_sep/1614_C9H19NO_3_shell_1554_0.76_0_1", + "electrolytes_scaled_sep/2359_AsF6-1_3_group_8_shell_75_0.76_-1_1", + "electrolytes_scaled_sep/1384_O2V+_3_group_47_shell_137_0.73_0_1", + "electrolytes_scaled_sep/2555_C4H5N_3_shell_457_0.72_0_1", + "electrolytes_scaled_sep/3074_C4H11NO_3_shell_791_0.75_0_1", + "electrolytes_scaled_sep/775_C2H3O2-1_3_group_87_shell_176_0.75_0_1", + "electrolytes_scaled_sep/266_C3H7O-1_3_group_33_shell_147_0.74_2_1", + "electrolytes_scaled_sep/2928_Cs+_3_group_5_shell_45_0.78_-1_1", + "electrolytes_scaled_sep/2448_C6H15NO2_3_shell_2333_0.79_0_1", + "electrolytes_scaled_sep/253_C4H6O3_3_shell_64_0.75_0_1", + "electrolytes_scaled_sep/2626_C4F3H5O2_3_shell_1125_0.79_0_1", + "electrolytes_scaled_sep/3056_C3H8O_3_shell_1632_0.78_0_1", + "electrolytes_scaled_sep/2448_CH4O_3_shell_1567_0.75_0_1", + "electrolytes_scaled_sep/946_C2H6OS_3_shell_1408_0.75_0_1", + "electrolytes_scaled_sep/33_H2O_3_shell_55_0.77_0_1", + "electrolytes_scaled_sep/822_Cl-1_3_group_10_shell_76_0.79_2_2", + "electrolytes_scaled_sep/861_CH3O-1_3_group_46_shell_123_0.72_1_1", + "electrolytes_scaled_sep/1701_Rb+_3_group_12_shell_88_0.75_0_1", + "electrolytes_scaled_sep/1272_C2H6OS_3_shell_401_0.79_0_1", + "electrolytes_scaled_sep/3455_C2H4O4S_3_shell_202_0.71_0_1", + "electrolytes_scaled_sep/1476_C2H4O4S_3_shell_93_0.75_0_1", + "electrolytes_scaled_sep/917_C4H6O3_3_shell_827_0.75_0_1", + "electrolytes_scaled_sep/2775_C4H8O_3_shell_14_0.8_0_1", + "electrolytes_scaled_sep/2932_H2O_3_shell_454_0.75_0_1", + "electrolytes_scaled_sep/2447_Cl-1_3_group_20_shell_155_0.72_-1_1", + "electrolytes_scaled_sep/3428_C3H8O_3_shell_2078_0.74_0_1", + "electrolytes_scaled_sep/2984_C4H6O3_3_shell_573_0.74_0_1", + "electrolytes_scaled_sep/112_C2H6O_3_shell_214_0.74_0_1", + "electrolytes_scaled_sep/3729_Cl-1_3_group_6_shell_55_0.77_3_1", + "electrolytes_scaled_sep/1502_H2O_3_shell_308_0.8_0_1", + "electrolytes_scaled_sep/3498_C4H10O2_3_shell_693_0.75_0_1", + "electrolytes_scaled_sep/1116_F-1_3_group_49_shell_205_0.8_3_4", + "electrolytes_scaled_sep/3069_C4H11NO_3_shell_268_0.71_0_1", + "electrolytes_scaled_sep/2807_C6FH5_3_shell_589_0.78_0_1", + "electrolytes_scaled_sep/548_C6H2O4-2_3_group_10_shell_89_0.75_1_1", + "electrolytes_scaled_sep/1237_C2H4O4S_3_shell_1_0.71_0_1", + "electrolytes_scaled_sep/2284_CH4N2O_3_shell_2609_0.74_0_1", + "electrolytes_scaled_sep/2448_H2O_3_shell_506_0.77_0_1", + "electrolytes_scaled_sep/1089_C2H3O2-1_3_group_8_shell_81_0.74_1_1", + "electrolytes_scaled_sep/1505_BC4O8-1_3_group_173_shell_518_0.77_2_1", + "electrolytes_scaled_sep/2752_BC4O8-1_3_group_19_shell_127_0.77_-1_1", + "electrolytes_scaled_sep/305_C3FH3O3_3_shell_659_0.75_0_1", + "electrolytes_scaled_sep/33_H2O_3_shell_29_0.74_0_1", + "electrolytes_scaled_sep/67_Na+_3_group_1_shell_12_0.74_-1_1", + "electrolytes_scaled_sep/2534_C2H6O_3_shell_1919_0.77_0_1", + "electrolytes_scaled_sep/175_BF4-1_3_group_85_shell_736_0.73_2_1", + "electrolytes_scaled_sep/2247_C2H6O_3_shell_386_0.8_0_1", + "electrolytes_scaled_sep/1036_Cu+_3_group_5_shell_39_0.72_-1_1", + "electrolytes_scaled_sep/1810_ClO4-1_3_group_25_shell_215_0.72_-1_1", + "electrolytes_scaled_sep/3380_CH4O_3_shell_43_0.72_0_1", + "electrolytes_scaled_sep/458_Cl-1_3_group_11_shell_79_0.79_-1_1", + "electrolytes_scaled_sep/137_H2O_3_shell_67_0.79_0_1", + "electrolytes_scaled_sep/3515_C2H6O2_3_shell_594_0.77_0_1", + "electrolytes_scaled_sep/1216_C4H11NO_3_shell_51_0.79_0_1", + "electrolytes_scaled_sep/1522_C4H8O_3_shell_262_0.78_0_1", + "electrolytes_scaled_sep/1634_C6H15NO2_3_shell_864_0.75_0_1", + "electrolytes_scaled_sep/1848_CH4O_3_shell_358_0.78_0_1", + "electrolytes_scaled_sep/1528_C9H19NO_3_shell_641_0.74_0_1", + "electrolytes_scaled_sep/2496_AsF6-1_3_group_8_shell_66_0.79_-1_1", + "electrolytes_scaled_sep/1256_CH3NO2_3_shell_881_0.78_0_1", + "electrolytes_scaled_sep/3256_C4H12NO+_3_shell_1743_0.79_0_1", + "electrolytes_scaled_sep/1571_C3H8O_3_shell_740_0.73_0_1", + "electrolytes_scaled_sep/3155_CCl2H2_3_shell_57_0.71_0_1", + "electrolytes_scaled_sep/2907_BH4-1_3_group_7_shell_44_0.75_1_1", + "electrolytes_scaled_sep/588_NO3-1_3_group_13_shell_17_0.8_2_9", + "electrolytes_scaled_sep/2580_C3H8O3S_3_shell_481_0.72_0_1", + "electrolytes_scaled_sep/1660_C2H6O_3_shell_1408_0.8_0_1", + "electrolytes_scaled_sep/1707_K+_3_group_0_shell_5_0.72_1_1", + "electrolytes_scaled_sep/2372_C2H3O2-1_3_group_17_shell_170_0.8_2_4", + "electrolytes_scaled_sep/338_C4H5N_3_shell_3296_0.77_0_1", + "electrolytes_scaled_sep/3128_C2Cl2H4_3_shell_437_0.77_0_1", + "electrolytes_scaled_sep/900_H2O_3_shell_2_0.76_0_1", + "electrolytes_scaled_sep/129_C4H8O3_3_shell_81_0.75_0_1", + "electrolytes_scaled_sep/3381_CO3-2_3_group_19_shell_93_0.71_2_1", + "electrolytes_scaled_sep/124_BH4-1_3_group_13_shell_135_0.77_-1_1", + "electrolytes_scaled_sep/2540_ClO4-1_3_group_40_shell_119_0.78_-1_1", + "electrolytes_scaled_sep/679_C4H7N_3_shell_24_0.71_0_1", + "electrolytes_scaled_sep/191_C2F6NO4S2-1_3_group_136_shell_1148_0.74_1_1", + "electrolytes_scaled_sep/3640_Br-1_3_group_7_shell_39_0.74_1_1", + "electrolytes_scaled_sep/437_C2H5O-1_3_group_51_shell_87_0.8_0_1", + "electrolytes_scaled_sep/2129_C6H15NO2_3_shell_183_0.78_0_1", + "electrolytes_scaled_sep/790_Cu+_3_group_13_shell_49_0.77_0_1", + "electrolytes_scaled_sep/958_C2Cl2H4_3_shell_406_0.75_0_1", + "electrolytes_scaled_sep/1858_CH3NO2_3_shell_486_0.8_0_1", + "electrolytes_scaled_sep/159_ClO4-1_3_group_31_shell_319_0.71_3_1", + "electrolytes_scaled_sep/3152_CH3O-1_3_group_7_shell_50_0.7_3_1", + "electrolytes_scaled_sep/2545_F6P-1_3_group_109_shell_490_0.72_-1_1", + "electrolytes_scaled_sep/2040_O4S-2_3_group_68_shell_237_0.79_2_1", + "electrolytes_scaled_sep/3611_H2O_3_shell_93_0.78_0_1", + "electrolytes_scaled_sep/222_Al+3_3_group_2_shell_13_0.76_3_1", + "electrolytes_scaled_sep/3284_Rb+_3_group_11_shell_76_0.71_1_1", + "electrolytes_scaled_sep/1407_Ba+2_3_group_8_shell_65_0.75_1_1", + "electrolytes_scaled_sep/1970_C5H5N_3_shell_683_0.79_0_1", + "electrolytes_scaled_sep/2414_C4H11NO_3_shell_481_0.73_0_1", + "electrolytes_scaled_sep/436_H2O_3_shell_194_0.78_0_1", + "electrolytes_scaled_sep/419_Cl-1_3_group_18_shell_164_0.77_-1_1", + "electrolytes_scaled_sep/2843_O4P-3_3_group_10_shell_65_0.78_2_1", + "electrolytes_scaled_sep/2867_H2O_3_shell_71_0.8_0_1", + "electrolytes_scaled_sep/3570_C3H7O-1_3_group_12_shell_25_0.75_1_1", + "electrolytes_scaled_sep/2962_C2H6O_3_shell_103_0.78_0_1", + "electrolytes_scaled_sep/2834_C2H4O2-2_3_group_28_shell_181_0.8_-1_2", + "electrolytes_scaled_sep/2092_Be+2_3_group_14_shell_89_0.8_-2_1", + "electrolytes_scaled_sep/1740_CH4O_3_shell_1038_0.76_0_1", + "electrolytes_scaled_sep/1914_Zr+4_3_group_3_shell_25_0.79_0_1", + "electrolytes_scaled_sep/836_F2NO4S2-1_3_group_35_shell_247_0.77_1_1", + "electrolytes_scaled_sep/1195_H2O_3_shell_552_0.75_0_1", + "electrolytes_scaled_sep/137_NO3-1_3_group_154_shell_1442_0.74_4_1", + "electrolytes_scaled_sep/1833_Br3CH_3_shell_86_0.78_0_1", + "electrolytes_scaled_sep/741_C4H5N_3_shell_2063_0.77_0_1", + "electrolytes_scaled_sep/2953_C4H7N_3_shell_1475_0.76_0_1", + "electrolytes_scaled_sep/133_H2O_3_shell_84_0.73_0_1", + "electrolytes_scaled_sep/3494_C4H6O2_3_shell_155_0.7_0_1", + "electrolytes_scaled_sep/501_ClO4-1_3_group_8_shell_37_0.73_0_1", + "electrolytes_scaled_sep/963_I-1_3_group_19_shell_194_0.8_-1_1", + "electrolytes_scaled_sep/306_C3FH3O3_3_shell_556_0.77_0_1", + "electrolytes_scaled_sep/1322_CO3-2_3_group_7_shell_53_0.79_2_1", + "electrolytes_scaled_sep/2588_F-1_3_group_4_shell_40_0.73_2_1", + "electrolytes_scaled_sep/1867_C2H4O2-2_3_group_2_shell_13_0.79_3_1", + "electrolytes_scaled_sep/2283_C2H6O_3_shell_1698_0.75_0_1", + "electrolytes_scaled_sep/124_BH4-1_3_group_93_shell_738_0.79_-3_1", + "electrolytes_scaled_sep/3344_Sn+2_3_group_13_shell_86_0.78_1_1", + "electrolytes_scaled_sep/1274_C2H6O2_3_shell_17_0.74_0_1", + "electrolytes_scaled_sep/971_CH4N2O_3_shell_88_0.79_0_1", + "electrolytes_scaled_sep/75_HO-1_3_group_55_shell_375_0.8_0_1", + "electrolytes_scaled_sep/3522_Br2C2H4_3_shell_369_0.78_0_1", + "electrolytes_scaled_sep/3440_CH3NO2_3_shell_364_0.75_0_1", + "electrolytes_scaled_sep/505_H2O_3_shell_73_0.79_0_1", + "electrolytes_scaled_sep/1256_V+2_3_group_4_shell_29_0.75_0_4", + "electrolytes_scaled_sep/1832_Pt+2_3_group_3_shell_16_0.72_2_3", + "electrolytes_scaled_sep/3445_C2H6OS_3_shell_342_0.8_0_1", + "electrolytes_scaled_sep/3297_C2H3O2-1_3_group_24_shell_195_0.71_-1_1", + "electrolytes_scaled_sep/3574_Rb+_3_group_14_shell_87_0.77_1_1", + "electrolytes_scaled_sep/1457_C2H3O2-1_3_group_7_shell_71_0.8_6_1", + "electrolytes_scaled_sep/3039_C3H7O-1_3_group_3_shell_19_0.78_5_1", + "electrolytes_scaled_sep/3361_C2H6O2_3_shell_755_0.77_0_1", + "electrolytes_scaled_sep/2416_Ba+2_3_group_3_shell_29_0.77_1_1", + "electrolytes_scaled_sep/1515_C2H6O_3_shell_2095_0.73_0_1", + "electrolytes_scaled_sep/142_ClO4-1_3_group_70_shell_623_0.79_-2_1", + "electrolytes_scaled_sep/697_Cl-1_3_group_19_shell_159_0.74_1_4", + "electrolytes_scaled_sep/2443_F-1_3_group_23_shell_99_0.79_3_1", + "electrolytes_scaled_sep/3666_C4H8O2S_3_shell_1417_0.74_0_1", + "electrolytes_scaled_sep/3440_Cu+_3_group_10_shell_67_0.78_-2_1", + "electrolytes_scaled_sep/2206_HO-1_3_group_44_shell_135_0.79_3_4", + "electrolytes_scaled_sep/2995_ClO4-1_3_group_33_shell_226_0.78_-1_1", + "electrolytes_scaled_sep/412_C2H6O_3_shell_119_0.76_0_1", + "electrolytes_scaled_sep/2183_CCl3H_3_shell_511_0.75_0_1", + "electrolytes_scaled_sep/112_H2O_3_shell_320_0.71_0_1", + "electrolytes_scaled_sep/609_Al+3_3_group_1_shell_17_0.72_1_1", + "electrolytes_scaled_sep/77_H2O_3_shell_111_0.77_0_1", + "electrolytes_scaled_sep/2640_C3H7NO_3_shell_493_0.72_0_1", + "electrolytes_scaled_sep/2513_Cl-1_3_group_4_shell_40_0.71_-1_1", + "electrolytes_scaled_sep/617_C4H5N_3_shell_707_0.7_0_1", + "electrolytes_scaled_sep/3418_F6P-1_3_group_81_shell_327_0.77_-1_1", + "electrolytes_scaled_sep/1079_BF4-1_3_group_33_shell_131_0.78_-1_1", + "electrolytes_scaled_sep/3462_C4H11NO_3_shell_13_0.78_0_1", + "electrolytes_scaled_sep/1585_F2NO4S2-1_3_group_7_shell_39_0.78_5_1", + "electrolytes_scaled_sep/3087_C2H5O-1_3_group_14_shell_100_0.73_1_1", + "electrolytes_scaled_sep/433_Br-1_3_group_0_shell_5_0.75_-1_1", + "electrolytes_scaled_sep/2464_C12H14N2+2_3_shell_223_0.75_8_1", + "electrolytes_scaled_sep/3151_C4H7N_3_shell_13_0.72_0_1", + "electrolytes_scaled_sep/2241_NO3-1_3_group_32_shell_274_0.8_1_1", + "electrolytes_scaled_sep/569_Cr+3_3_group_1_shell_17_0.73_-2_4", + "electrolytes_scaled_sep/2643_CCl3H_3_shell_127_0.76_0_1", + "electrolytes_scaled_sep/1567_Rb+_3_group_7_shell_68_0.76_0_1", + "electrolytes_scaled_sep/726_Cl-1_3_group_46_shell_312_0.76_1_1", + "electrolytes_scaled_sep/1739_C6H15NO2_3_shell_10_0.78_0_1", + "electrolytes_scaled_sep/1371_C2H3O2-1_3_group_95_shell_128_0.74_1_1", + "electrolytes_scaled_sep/2137_F-1_3_group_80_shell_797_0.72_4_1", + "electrolytes_scaled_sep/2806_F-1_3_group_20_shell_154_0.73_4_5", + "electrolytes_scaled_sep/1669_CH3O-1_3_group_10_shell_77_0.78_-2_1", + "electrolytes_scaled_sep/3583_C6H15NO2_3_shell_4022_0.71_0_1", + "electrolytes_scaled_sep/3445_Cl-1_3_group_14_shell_97_0.79_1_9", + "electrolytes_scaled_sep/3278_CH4O_3_shell_27_0.8_0_1", + "electrolytes_scaled_sep/1911_ClO4-1_3_group_2_shell_15_0.79_1_5", + "electrolytes_scaled_sep/470_CF3O3S-1_3_group_58_shell_176_0.75_0_1", + "electrolytes_scaled_sep/71_O4S-2_3_group_12_shell_116_0.76_2_1", + "electrolytes_scaled_sep/3482_Ca+2_3_group_1_shell_18_0.79_-2_1", + "electrolytes_scaled_sep/1945_CH4O_3_shell_86_0.8_0_1", + "electrolytes_scaled_sep/3125_C4H7N_3_shell_607_0.78_0_1", + "electrolytes_scaled_sep/2282_CH4O_3_shell_1286_0.76_0_1", + "electrolytes_scaled_sep/590_C2H3O2-1_3_group_22_shell_39_0.75_0_1", + "electrolytes_scaled_sep/696_C3H6O3_3_shell_2414_0.77_0_1", + "electrolytes_scaled_sep/1122_O4S-2_3_group_37_shell_140_0.79_4_1", + "electrolytes_scaled_sep/412_C2H6O_3_shell_6_0.76_0_1", + "electrolytes_scaled_sep/2203_Rb+_3_group_6_shell_38_0.75_1_1", + "electrolytes_scaled_sep/250_C3H7NO_3_shell_522_0.77_0_1", + "electrolytes_scaled_sep/3536_ClO4-1_3_group_122_shell_470_0.77_6_1", + "electrolytes_scaled_sep/546_C6H2O4-2_3_group_2_shell_28_0.71_1_1", + "electrolytes_scaled_sep/2332_K+_3_group_7_shell_14_0.79_-1_1", + "electrolytes_scaled_sep/2631_F6P-1_3_group_2_shell_15_0.76_0_1", + "electrolytes_scaled_sep/2383_Br-1_3_group_1_shell_6_0.74_-1_1", + "electrolytes_scaled_sep/557_CH4N2O_3_shell_2184_0.78_0_1", + "electrolytes_scaled_sep/3146_AsF6-1_3_group_6_shell_32_0.74_-1_1", + "electrolytes_scaled_sep/2858_I-1_3_group_10_shell_96_0.71_-1_1", + "electrolytes_scaled_sep/2839_H2O_3_shell_58_0.73_0_1", + "electrolytes_scaled_sep/264_C2H3N_3_shell_959_0.71_0_1", + "electrolytes_scaled_sep/1097_C2H6O_3_shell_182_0.73_0_1", + "electrolytes_scaled_sep/869_C3FH3O3_3_shell_73_0.78_0_1", + "electrolytes_scaled_sep/1660_Br-1_3_group_33_shell_194_0.74_-1_1", + "electrolytes_scaled_sep/2978_Rb+_3_group_13_shell_93_0.8_1_1", + "electrolytes_scaled_sep/2696_C4H11NO_3_shell_5_0.8_0_1", + "electrolytes_scaled_sep/1814_CCl2H2_3_shell_84_0.74_0_1", + "electrolytes_scaled_sep/1646_CCl3H_3_shell_32_0.7_0_1", + "electrolytes_scaled_sep/2208_CH4O_3_shell_65_0.73_0_1", + "electrolytes_scaled_sep/840_CH4O_3_shell_1123_0.75_0_1", + "electrolytes_scaled_sep/520_Br-1_3_group_6_shell_26_0.76_-1_1", + "electrolytes_scaled_sep/191_K+_3_group_3_shell_38_0.78_0_1", + "electrolytes_scaled_sep/425_Br3CH_3_shell_92_0.75_0_1", + "electrolytes_scaled_sep/728_F-1_3_group_18_shell_34_0.79_3_5", + "electrolytes_scaled_sep/1475_C2H4O4S_3_shell_106_0.7_0_1", + "electrolytes_scaled_sep/1977_C9H19NO_3_shell_101_0.77_0_1", + "electrolytes_scaled_sep/3666_K+_3_group_11_shell_52_0.77_0_1", + "electrolytes_scaled_sep/3012_Ag+_3_group_50_shell_325_0.79_1_1", + "electrolytes_scaled_sep/3174_Rb+_3_group_10_shell_66_0.71_-3_1", + "electrolytes_scaled_sep/410_Al+3_3_group_24_shell_118_0.73_-1_1", + "electrolytes_scaled_sep/2977_C3H8O_3_shell_1660_0.75_0_1", + "electrolytes_scaled_sep/1070_H2O_3_shell_172_0.73_0_1", + "electrolytes_scaled_sep/201_CF3O3S-1_3_group_175_shell_1707_0.76_2_1", + "electrolytes_scaled_sep/2021_Br2C2H4_3_shell_16_0.74_0_1", + "electrolytes_scaled_sep/1753_H2O_3_shell_23_0.71_0_1", + "electrolytes_scaled_sep/1083_I-1_3_group_10_shell_56_0.72_-1_1", + "electrolytes_scaled_sep/571_C3H7O-1_3_group_7_shell_68_0.75_-1_1", + "electrolytes_scaled_sep/1860_BH4-1_3_group_34_shell_159_0.75_2_1", + "electrolytes_scaled_sep/1106_Tl+3_3_group_19_shell_129_0.79_-1_1", + "electrolytes_scaled_sep/3593_Cs+_3_group_4_shell_37_0.74_1_1", + "electrolytes_scaled_sep/1304_C4H8O_3_shell_317_0.79_0_1", + "electrolytes_scaled_sep/2380_I-1_3_group_11_shell_66_0.76_-1_1", + "electrolytes_scaled_sep/802_Tl+3_3_group_16_shell_73_0.8_-2_1", + "electrolytes_scaled_sep/2805_C6FH5_3_shell_109_0.71_0_1", + "electrolytes_scaled_sep/2098_C2H6O2_3_shell_689_0.75_0_1", + "electrolytes_scaled_sep/3700_C2H3N_3_shell_854_0.72_0_1", + "electrolytes_scaled_sep/1503_C6H5NO2_3_shell_649_0.73_0_1", + "electrolytes_scaled_sep/468_H4N+_3_group_18_shell_117_0.8_0_1", + "electrolytes_scaled_sep/3665_Na+_3_group_8_shell_45_0.78_0_1", + "electrolytes_scaled_sep/3103_C6H15NO2_3_shell_303_0.74_0_1", + "electrolytes_scaled_sep/2015_H2O_3_shell_8_0.74_0_1", + "electrolytes_scaled_sep/2066_CCl3H_3_shell_9_0.74_0_1", + "electrolytes_scaled_sep/83_F2NO4S2-1_3_group_285_shell_2344_0.77_1_1", + "electrolytes_scaled_sep/3354_C3H7NO_3_shell_58_0.72_0_1", + "electrolytes_scaled_sep/756_BC4O8-1_3_group_142_shell_311_0.7_-1_1", + "electrolytes_scaled_sep/1081_Ag+_3_group_29_shell_189_0.77_1_1", + "electrolytes_scaled_sep/2286_Br-1_3_group_5_shell_45_0.76_-1_1", + "electrolytes_scaled_sep/30_Cl-1_3_group_19_shell_189_0.76_0_1", + "electrolytes_scaled_sep/297_C3H8O_3_shell_342_0.72_0_1", + "electrolytes_scaled_sep/2990_H2O_3_shell_1247_0.8_0_1", + "electrolytes_scaled_sep/1003_C4H11NO_3_shell_681_0.72_0_1", + "electrolytes_scaled_sep/3373_C2Cl2H4_3_shell_163_0.71_0_1", + "electrolytes_scaled_sep/437_HO-1_3_group_62_shell_177_0.74_1_1", + "electrolytes_scaled_sep/703_C3H8O_3_shell_2557_0.76_0_1", + "electrolytes_scaled_sep/1323_CH3NO2_3_shell_107_0.79_0_1", + "electrolytes_scaled_sep/2978_H2O_3_shell_13_0.76_0_1", + "electrolytes_scaled_sep/633_C3H4O3_3_shell_1267_0.71_0_1", + "electrolytes_scaled_sep/3448_C3H7NO_3_shell_325_0.78_0_1", + "electrolytes_scaled_sep/2996_C2H6O_3_shell_134_0.77_0_1", + "electrolytes_scaled_sep/79_CF3O3S-1_3_group_7_shell_78_0.79_-2_1", + "electrolytes_scaled_sep/2820_C3H6O3_3_shell_1059_0.7_0_1", + "electrolytes_scaled_sep/178_Cl-1_3_group_12_shell_123_0.78_-1_1", + "electrolytes_scaled_sep/3130_C4H7N_3_shell_286_0.74_0_1", + "electrolytes_scaled_sep/1290_O2V+_3_group_9_shell_93_0.75_3_1", + "electrolytes_scaled_sep/3384_Br2C2H4_3_shell_71_0.77_0_1", + "electrolytes_scaled_sep/848_Tl+3_3_group_6_shell_59_0.76_0_1", + "electrolytes_scaled_sep/31_Li+_3_group_6_shell_66_0.77_0_1", + "electrolytes_scaled_sep/3639_C2H3N_3_shell_423_0.71_0_1", + "electrolytes_scaled_sep/3071_H3O+_3_group_16_shell_122_0.76_1_1", + "electrolytes_scaled_sep/3054_Ti+_3_group_0_shell_8_0.76_0_4", + "electrolytes_scaled_sep/3215_C2H5O-1_3_group_4_shell_19_0.78_-1_1", + "electrolytes_scaled_sep/2975_C4H6O3_3_shell_215_0.76_0_1", + "electrolytes_scaled_sep/1860_C3FH3O3_3_shell_404_0.72_0_1", + "electrolytes_scaled_sep/580_CH4O_3_shell_302_0.73_0_1", + "electrolytes_scaled_sep/760_C6H15O4P_3_shell_2127_0.73_0_1", + "electrolytes_scaled_sep/3224_C2H3O2-1_3_group_9_shell_77_0.76_-1_1", + "electrolytes_scaled_sep/2574_Cu+_3_group_24_shell_92_0.78_0_1", + "electrolytes_scaled_sep/1571_Br-1_3_group_8_shell_74_0.78_-1_1", + "electrolytes_scaled_sep/3349_Ca+2_3_group_1_shell_15_0.78_0_1", + "electrolytes_scaled_sep/1153_Sn+2_3_group_7_shell_68_0.73_0_1", + "electrolytes_scaled_sep/3498_BC4O8-1_3_group_35_shell_107_0.79_-1_1", + "electrolytes_scaled_sep/198_C2H3O2-1_3_group_233_shell_2245_0.76_0_1", + "electrolytes_scaled_sep/2398_C3H8O_3_shell_77_0.74_0_1", + "electrolytes_scaled_sep/1034_F-1_3_group_35_shell_266_0.78_2_1", + "electrolytes_scaled_sep/953_BC4O8-1_3_group_67_shell_451_0.77_-1_1", + "electrolytes_scaled_sep/3423_C3H8O_3_shell_396_0.77_0_1", + "electrolytes_scaled_sep/2013_AsF6-1_3_group_49_shell_252_0.78_-1_1", + "electrolytes_scaled_sep/3754_Li+_3_group_13_shell_53_0.74_-2_1", + "electrolytes_scaled_sep/846_Tl+3_3_group_4_shell_28_0.75_2_1", + "electrolytes_scaled_sep/2101_C6H2O4-2_3_group_4_shell_45_0.79_4_1", + "electrolytes_scaled_sep/554_H2O_3_shell_1592_0.73_0_1", + "electrolytes_scaled_sep/633_Sn+2_3_group_0_shell_6_0.72_1_1", + "electrolytes_scaled_sep/645_ClO4-1_3_group_21_shell_32_0.72_-1_1", + "electrolytes_scaled_sep/842_C3FH3O3_3_shell_1432_0.75_0_1", + "electrolytes_scaled_sep/390_C4H8O2_3_shell_461_0.73_0_1", + "electrolytes_scaled_sep/969_Cu+2_3_group_1_shell_11_0.79_0_2", + "electrolytes_scaled_sep/110_H2O_3_shell_110_0.79_0_1", + "electrolytes_scaled_sep/3352_F-1_3_group_22_shell_91_0.8_1_1", + "electrolytes_scaled_sep/2502_C4H11NO_3_shell_7_0.79_0_1", + "electrolytes_scaled_sep/1264_F-1_3_group_11_shell_107_0.79_1_1", + "electrolytes_scaled_sep/3444_F-1_3_group_33_shell_197_0.72_4_1", + "electrolytes_scaled_sep/361_Sn+2_3_group_5_shell_29_0.76_2_1", + "electrolytes_scaled_sep/2181_Cs+_3_group_1_shell_10_0.79_0_1", + "electrolytes_scaled_sep/1752_C2H5O-1_3_group_13_shell_118_0.74_0_4", + "electrolytes_scaled_sep/2848_CHO3-1_3_group_13_shell_38_0.77_1_1", + "electrolytes_scaled_sep/3649_C3H7NO_3_shell_1857_0.77_0_1", + "electrolytes_scaled_sep/3522_C3H7O-1_3_group_211_shell_332_0.78_2_1", + "electrolytes_scaled_sep/1315_C4H12NO+_3_shell_243_0.78_3_1", + "electrolytes_scaled_sep/1234_C2H6O2_3_shell_1192_0.75_0_1", + "electrolytes_scaled_sep/2954_C2H6OS_3_shell_239_0.76_0_1", + "electrolytes_scaled_sep/541_C3H8O3S_3_shell_252_0.78_0_1", + "electrolytes_scaled_sep/1128_C3H7O-1_3_group_4_shell_32_0.76_0_1", + "electrolytes_scaled_sep/690_C6H14_3_shell_589_0.73_0_1", + "electrolytes_scaled_sep/289_CH4N2O_3_shell_774_0.77_0_1", + "electrolytes_scaled_sep/3190_C4F3H6O2-1_3_group_124_shell_182_0.75_1_1", + "electrolytes_scaled_sep/529_C2H3O2-1_3_group_38_shell_280_0.8_4_1", + "electrolytes_scaled_sep/3010_CH4N2O_3_shell_1951_0.79_0_1", + "electrolytes_scaled_sep/210_C4H6O3_3_shell_9_0.72_0_1", + "electrolytes_scaled_sep/2021_Al+3_3_group_4_shell_34_0.71_-1_1", + "electrolytes_scaled_sep/900_F6P-1_3_group_3_shell_31_0.74_-1_1", + "electrolytes_scaled_sep/3551_C6H6_3_shell_1864_0.79_0_1", + "electrolytes_scaled_sep/1526_C4H8O_3_shell_1583_0.71_0_1", + "electrolytes_scaled_sep/306_C3FH3O3_3_shell_577_0.76_0_1", + "electrolytes_scaled_sep/667_C2H3N_3_shell_1699_0.76_0_1", + "electrolytes_scaled_sep/2617_C3H8O_3_shell_88_0.71_0_1", + "electrolytes_scaled_sep/3549_Br2C2H4_3_shell_519_0.78_0_1", + "electrolytes_scaled_sep/3692_C4H8O_3_shell_1654_0.79_0_1", + "electrolytes_scaled_sep/3584_Cs+_3_group_8_shell_53_0.74_1_1", + "electrolytes_scaled_sep/186_F2NO4S2-1_3_group_89_shell_589_0.76_-1_1", + "electrolytes_scaled_sep/2063_Br3CH_3_shell_228_0.7_0_1", + "electrolytes_scaled_sep/2007_H2O_3_shell_716_0.79_0_1", + "electrolytes_scaled_sep/10_H2O_3_shell_40_0.78_0_1", + "electrolytes_scaled_sep/1973_C9H18NO-1_3_group_65_shell_127_0.76_1_1", + "electrolytes_scaled_sep/2793_C4H11NO_3_shell_345_0.79_0_1", + "electrolytes_scaled_sep/2596_Tl+3_3_group_21_shell_110_0.7_1_1", + 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"protein_interface/3utb_ifaceB77_frame9_1_1", + "protein_interface/1mqs_ifaceB18_frame0_1_1", + "protein_interface/2jjm_ifaceC73_frame9_0_1", + "protein_interface/4nkq_ifaceA419_frame9_-1_1", + "protein_interface/2uv0_ifaceH81_frame0_1_1", + "protein_interface/3ax0_ifaceB69_frame9_1_1", + "protein_interface/3iec_ifaceD214_frame0_1_1", + "protein_interface/2bzr_ifaceB69_frame9_-2_1", + "protein_interface/2f9z_ifaceB146_frame0_0_1", + "protein_interface/4zkx_ifaceD157_frame0_0_1", + "protein_interface/5cx8_ifaceB190_frame0_-2_1", + "protein_interface/2zpb_ifaceB100_frame9_0_1", + "protein_interface/4atq_ifaceC142_frame9_1_1", + "protein_interface/3os6_ifaceA181_frame9_-3_1", + "protein_interface/4m06_ifaceC64_frame0_0_1", + "protein_interface/3rad_ifaceC585_frame0_0_1", + "protein_interface/4rsu_ifaceE85_frame6_-1_1", + "protein_interface/1i12_ifaceD28_frame9_0_1", + "protein_interface/2a8c_ifaceD57_frame9_-1_1", + "protein_interface/4f88_ifaceA33_frame9_0_1", + "protein_interface/5cm7_ifaceB5_frame0_0_1", + "protein_interface/4wx3_ifaceC143_frame9_1_1", + "protein_interface/4ix5_ifaceA445_frame0_0_1", + "protein_interface/1p1q_ifaceA103_frame0_0_1", + "protein_interface/1wx0_ifaceA203_frame0_1_1", + "protein_interface/2wva_ifaceX560_frame9_0_1", + "protein_interface/4xca_ifaceA67_frame9_0_1", + "protein_interface/1moj_ifaceA82_frame9_0_1", + "protein_interface/3gmj_ifaceB341_frame0_1_1", + "protein_interface/4e75_ifaceA90_frame0_0_1", + "protein_interface/3a20_ifaceA70_frame9_1_1", + "protein_interface/4d2i_ifaceA48_frame0_0_1", + "protein_interface/4he8_ifaceG306_frame9_0_1", + "protein_interface/4k20_ifaceA127_frame9_0_1", + "protein_interface/3f13_ifaceA138_frame0_1_1", + "protein_interface/5e0a_ifaceB9_frame9_-1_1", + "protein_interface/3k33_ifaceB57_frame0_0_1", + "protein_interface/3w6q_ifaceD162_frame9_0_1", + "protein_interface/1wvm_ifaceB412_frame9_0_1", + "protein_interface/1y5y_ifaceC2154_frame9_0_1", + "protein_interface/3eh5_ifaceA300_frame0_0_1", + "protein_interface/3uzp_ifaceB14_frame9_1_1", + "protein_interface/3jz4_ifaceD66_frame0_0_1", + "protein_interface/1k2x_ifaceC94_frame9_1_1", + "protein_interface/1sk6_ifaceC527_frame0_1_1", + "protein_interface/2y75_ifaceE54_frame0_0_1", + "protein_interface/4lse_ifaceC159_frame9_0_1", + "protein_interface/2eg6_ifaceB265_frame9_2_1", + "protein_interface/4a12_ifaceD25_frame9_0_1", + "protein_interface/2vjf_ifaceD476_frame9_1_1", + "protein_interface/3vbh_ifaceD59_frame0_0_1", + "protein_interface/4doj_ifaceC336_frame0_0_1", + "protein_interface/4ndz_ifaceE1126_frame0_1_1", + "protein_interface/3vcz_ifaceA112_frame0_-1_1", + "protein_interface/3d6r_ifaceA117_frame0_0_1", + "protein_interface/4fiu_ifaceA504_frame9_1_1", + "protein_interface/3tdq_ifaceA57_frame9_0_1", + "protein_interface/3wve_ifaceB159_frame9_-1_1", + "protein_interface/3u9i_ifaceB119_frame0_0_1", + "protein_interface/4cx5_ifaceB699_frame0_0_1", + 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"protein_interface/4y77_ifaceT8_frame0_0_1", + "protein_interface/1jp3_ifaceB171_frame0_-1_1", + "protein_interface/4b3r_ifaceR23_frame9_0_1", + "protein_interface/4rdv_ifaceB77_frame0_0_1", + "protein_interface/4q2j_ifaceC123_frame0_-1_1", + "protein_interface/3pns_ifaceH72_frame0_-2_1", + "protein_interface/1sx4_ifaceR68_frame9_1_1", + "protein_interface/5d8s_ifaceI143_frame9_0_1", + "protein_interface/2qrd_ifaceG95_frame9_0_1", + "protein_interface/1les_ifaceA8_frame0_-1_1", + "protein_interface/1og0_ifaceA131_frame9_0_1", + "protein_interface/3qgk_ifaceJ85_frame9_0_1", + "protein_interface/2jhe_ifaceB34_frame0_0_1", + "protein_interface/3ccv_ifaceZ91_frame0_-1_1", + "protein_interface/1wz7_ifaceB66_frame0_-1_1", + "protein_interface/1o64_ifaceA140_frame9_0_1", + "protein_interface/4ir8_ifaceA241_frame0_0_1", + "protein_interface/3vov_ifaceB274_frame9_1_1", + "protein_interface/4m70_ifaceH99_frame9_0_1", + "protein_interface/4u9n_ifaceB313_frame0_0_1", + "protein_interface/1q3s_ifaceH338_frame9_1_1", + "protein_interface/2bs2_ifaceE200_frame0_1_1", + "protein_interface/3cq9_ifaceA158_frame9_0_1", + "protein_interface/4eqv_ifaceD364_frame9_0_1", + "protein_interface/1b5o_ifaceB114_frame9_1_1", + "protein_interface/2gr7_ifaceB1034_frame0_0_1", + "protein_interface/3cf0_ifaceG698_frame0_0_1", + "protein_interface/3wcu_ifaceC120_frame9_0_1", + "protein_interface/3gad_ifaceD18_frame9_1_1", + "protein_interface/3lsb_ifaceB74_frame9_2_1", + "protein_interface/1sx4_ifaceH3_frame0_-2_1", + "protein_interface/2xhk_ifaceA116_frame0_0_1", + "protein_interface/4aqn_ifaceA335_frame9_0_1", + "protein_interface/3tlt_ifaceB148_frame9_-2_1", + "protein_interface/3cne_ifaceC50_frame0_-1_1", + "protein_interface/5cpb_ifaceA251_frame0_1_1", + "protein_interface/4fvf_ifaceA201_frame9_0_1", + "protein_interface/2cw5_ifaceC60_frame0_0_1", + "protein_interface/4yxw_ifaceH40_frame0_0_1", + "protein_interface/3mm0_ifaceK109_frame9_0_1", + "protein_interface/4fc7_ifaceB266_frame0_-1_1", + "protein_interface/3vuq_ifaceD137_frame9_0_1", + "protein_interface/4u8d_ifaceB161_frame0_0_1", + "protein_interface/3asu_ifaceB151_frame9_1_1", + "protein_interface/2ws2_ifaceA49_frame0_1_1", + "protein_interface/1cli_ifaceC2012_frame0_1_1", + "protein_interface/2v5h_ifaceL43_frame9_0_1", + "protein_interface/3l2y_ifaceK168_frame9_0_1", + "protein_interface/2j4l_ifaceG43_frame9_-4_1", + "protein_interface/3tuz_ifaceH206_frame0_1_1", + "protein_interface/1zab_ifaceD131_frame0_0_1", + "protein_interface/2j3o_ifaceE256_frame0_0_1", + "protein_interface/3ovk_ifaceC115_frame0_-1_1", + "protein_interface/4gsc_ifaceB458_frame0_0_1", + "protein_interface/2vxi_ifaceB75_frame0_0_1", + "protein_interface/4gme_ifaceA98_frame9_1_1", + "protein_interface/4g4y_ifaceB229_frame0_-1_1", + "protein_interface/3npi_ifaceB37_frame9_-1_1", + "protein_interface/3oye_ifaceA289_frame0_-1_1", + "protein_interface/4ofn_ifaceB86_frame9_0_1", + "protein_interface/3ig4_ifaceB146_frame9_0_1", + "protein_interface/3hou_ifaceA499_frame0_0_1", + "protein_interface/1o9i_ifaceE49_frame0_0_1", + "protein_interface/4w9d_ifaceJ95_frame0_0_1", + "protein_interface/4yhh_ifaceE144_frame4_-1_1", + "protein_interface/4hi2_ifaceB42_frame9_-1_1", + "protein_interface/3rki_ifaceB240_frame9_0_1", + "protein_interface/2ihu_ifaceA158_frame9_0_1", + "protein_interface/3am6_ifaceD112_frame9_0_1", + "protein_interface/3des_ifaceA275_frame9_-1_1", + "protein_interface/4hov_ifaceA8_frame9_1_1", + "protein_interface/3sx2_ifaceA257_frame0_0_1", + "protein_interface/1gv1_ifaceD187_frame0_0_1", + "protein_interface/4yvq_ifaceA440_frame0_-1_1", + "protein_interface/4rs4_ifaceE90_frame0_0_1", + "protein_interface/1ext_ifaceB27_frame0_1_1", + "protein_interface/1fjg_ifaceC34_frame9_1_1", + "protein_interface/4wgl_ifaceL216_frame9_0_1", + "protein_interface/3a8i_ifaceB16_frame9_0_1", + "protein_interface/4iwr_ifaceF65_frame0_0_1", + "protein_interface/2wvy_ifaceB563_frame9_-1_1", + "protein_interface/1occ_ifaceE8_frame9_-1_1", + "protein_interface/1i2z_ifaceA149_frame0_1_1", + "protein_interface/1tnu_ifaceK135_frame9_0_1", + "protein_interface/1eqz_ifaceH17_frame0_2_1", + "protein_interface/3lub_ifaceF35_frame0_1_1", + "protein_interface/1id3_ifaceF26_frame9_-1_1", + "protein_interface/3sep_ifaceB530_frame9_0_1", + "protein_interface/4xzq_ifaceG1102_frame0_0_1", + "protein_interface/2nva_ifaceG71_frame9_-1_1", + "protein_interface/3itv_ifaceC295_frame0_0_1", + "protein_interface/4bhk_ifaceA236_frame0_1_1", + "protein_interface/3sz9_ifaceH461_frame0_-1_1", + "protein_interface/4rda_ifaceB354_frame9_-1_1", + "protein_interface/4mx2_ifaceB30_frame9_0_1", + "protein_interface/3ig2_ifaceB585_frame0_1_1", + "protein_interface/4ywm_ifaceI122_frame0_0_1", + "protein_interface/5cpz_ifaceA55_frame9_0_1", + "protein_interface/4rz4_ifaceG140_frame0_1_1", + "protein_interface/3cl3_ifaceD212_frame9_1_1", + 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"protein_interface/4esx_ifaceA55_frame9_1_1", + "protein_interface/1ahu_ifaceA501_frame9_0_1", + "protein_interface/3odm_ifaceC100_frame9_0_1", + "protein_interface/5d8s_ifaceF132_frame9_-1_1", + "protein_interface/3fjg_ifaceD162_frame0_1_1", + "protein_interface/1puu_ifaceB151_frame0_0_1", + "protein_interface/2v57_ifaceA27_frame0_0_1", + "protein_interface/4fir_ifaceA270_frame9_0_1", + "protein_interface/3ueg_ifaceA97_frame0_-2_1", + "protein_interface/4l7q_ifaceA276_frame0_1_1", + "protein_interface/3kqs_ifaceB131_frame9_1_1", + "protein_interface/1b2p_ifaceA71_frame0_0_1", + "protein_interface/4h73_ifaceC480_frame9_0_1", + "protein_interface/2xr8_ifaceI210_frame9_-1_1", + "protein_interface/3abm_ifaceA449_frame0_0_1", + "protein_interface/3gvd_ifaceC165_frame0_1_1", + "protein_interface/4ysy_ifaceE365_frame9_1_1", + "protein_interface/3owh_ifaceA69_frame0_-1_1", + "protein_interface/4xby_ifaceA12_frame0_0_1", + "protein_interface/1ezl_ifaceA56_frame0_0_1", + "protein_interface/4plw_ifaceB164_frame9_1_1", + "protein_interface/1ryw_ifaceE294_frame0_1_1", + "protein_interface/1aym_iface131_frame0_0_1", + "protein_interface/1qjx_iface3237_frame0_1_1", + "protein_interface/3k2x_ifaceC34_frame9_0_1", + "protein_interface/2jeb_ifaceA249_frame9_0_1", + "protein_interface/2v6a_ifaceC73_frame9_0_1", + "protein_interface/3b9g_ifaceB238_frame0_0_1", + "protein_interface/3qv6_ifaceA263_frame0_1_1", + "protein_interface/4hx6_ifaceC175_frame9_1_1", + "protein_interface/3efy_ifaceA271_frame0_-1_1", + "protein_interface/4z70_ifaceC100_frame9_-1_1", + "protein_interface/3gk0_ifaceF31_frame0_-1_1", + "protein_interface/3azi_ifaceA105_frame9_-1_1", + "protein_interface/2y7k_ifaceC131_frame9_0_1", + "protein_interface/3u5u_ifaceB71_frame0_0_1", + "protein_interface/3tjk_ifaceB74_frame9_2_1", + "protein_interface/2nvy_ifaceA1412_frame9_-1_1", + "protein_interface/1z7m_ifaceH146_frame9_0_1", + "protein_interface/2oj5_ifaceA294_frame9_0_1", + 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