{ "_comment": " model parameters", "model": { "type_map": ["O", "Ce", "Au", "C"], "descriptor" :{ "type": "se_e2_a", "sel": "auto", "rcut_smth": 1.00, "rcut": 7.00, "neuron": [25, 50, 100], "resnet_dt": false, "axis_neuron": 16, "seed": 1, "_comment": " that's all" }, "fitting_net" : { "neuron": [100, 100, 100], "resnet_dt": false, "seed": 1, "_comment": " that's all" }, "_comment": " that's all" }, "learning_rate" :{ "type": "exp", "decay_steps": 20000, "start_lr": 0.001, "stop_lr": 7.02e-8, "_comment": "that's all" }, "loss" :{ "type": "ener", "start_pref_e": 0.02, "limit_pref_e": 0.5, "start_pref_f": 1000, "limit_pref_f": 2, "start_pref_v": 0, "limit_pref_v": 0, "_comment": " that's all" }, "training" : { "training_data": { "systems": [ "/home/liujc/dataset/aunp_au201_800", "/home/liujc/dataset/aunp_au201_1100", "/home/liujc/dataset/aunp_au201_500", "/home/liujc/dataset/aunp_au201_800-co", "/home/liujc/dataset/aunp_au201_500-co", "/home/liujc/dataset/aunp_au38_800", "/home/liujc/dataset/aunp_au38_1100", "/home/liujc/dataset/aunp_au38_500", "/home/liujc/dataset/aunp_au38_800-co", "/home/liujc/dataset/aunp_au38_1100-co", "/home/liujc/dataset/aunp_au38_500-co", "/home/liujc/dataset/addition_auco19_opt", "/home/liujc/dataset/addition_auco18_opt", "/home/liujc/dataset/addition_auco17_opt", "/home/liujc/dataset/addition_auco16_opt", "/home/liujc/dataset/addition_auco15_opt", "/home/liujc/dataset/addition_auco14_opt", "/home/liujc/dataset/addition_auco13_opt", "/home/liujc/dataset/addition_auco10_opt", "/home/liujc/dataset/addition_auco11_opt", "/home/liujc/dataset/addition_auco1_opt", "/home/liujc/dataset/addition_auco2_opt", "/home/liujc/dataset/addition_auco3_opt", "/home/liujc/dataset/addition_auco4_opt", "/home/liujc/dataset/addition_auco5_opt", "/home/liujc/dataset/addition_auco6_opt", "/home/liujc/dataset/addition_auco7_opt", "/home/liujc/dataset/addition_auco8_opt", "/home/liujc/dataset/addition_auco9_opt", "/home/liujc/dataset/addition_auco_opt", "/home/liujc/dataset/addition_coco1_opt", "/home/liujc/dataset/addition_coco2_opt", "/home/liujc/dataset/addition_coco3_opt", "/home/liujc/dataset/addition_coco4_opt", "/home/liujc/dataset/addition_coco5_opt", "/home/liujc/dataset/addition_coco6_opt", "/home/liujc/dataset/addition_coco_opt", "/home/liujc/dataset/au100-2auco_300", "/home/liujc/dataset/au100_300", "/home/liujc/dataset/au100-4au-2co_300", "/home/liujc/dataset/au100-4auco_300", "/home/liujc/dataset/au100-4co_300", "/home/liujc/dataset/au100-8co_300", "/home/liujc/dataset/au10ceo2_300", "/home/liujc/dataset/au10ceo2-3co-1_opt", "/home/liujc/dataset/au10ceo2-3co_300", "/home/liujc/dataset/au10ceo2-3co-3auco_300", "/home/liujc/dataset/au10ceo2-3co-o2_300", "/home/liujc/dataset/au10ceo2-3co_opt", "/home/liujc/dataset/au10ceo2-3ov-co-2o2_300", "/home/liujc/dataset/au10ceo2-3ov-co_300", "/home/liujc/dataset/au10ceo2-6co_300", "/home/liujc/dataset/au10ceo2-co-2coo_300", "/home/liujc/dataset/au110-2auco_300", "/home/liujc/dataset/au110_300", "/home/liujc/dataset/au110-4au-2co_300", "/home/liujc/dataset/au110-4auco_300", "/home/liujc/dataset/au110-4co_300", "/home/liujc/dataset/au110-8co_300", "/home/liujc/dataset/au111-2au-1co_300", "/home/liujc/dataset/au111-2auco_300", "/home/liujc/dataset/au111_300", "/home/liujc/dataset/au111-4co_300", "/home/liujc/dataset/au111-8co_300", "/home/liujc/dataset/au111-auco_300", "/home/liujc/dataset/au20ceo2-2co-2coo_300", "/home/liujc/dataset/au20ceo2-2ov_500", "/home/liujc/dataset/au20ceo2-2ov-8co_500", "/home/liujc/dataset/au20ceo2_300", "/home/liujc/dataset/au20ceo2_300-new", "/home/liujc/dataset/au20ceo2-4co-2o2_300", "/home/liujc/dataset/au20ceo2-4co_300", "/home/liujc/dataset/au20ceo2-4ov_300", "/home/liujc/dataset/au20ceo2-6co-3o2_300", "/home/liujc/dataset/au20ceo2-6ov_300", "/home/liujc/dataset/au20ceo2-8co_300", "/home/liujc/dataset/au34-12co_300", "/home/liujc/dataset/au34-19co_300", "/home/liujc/dataset/au34_300", "/home/liujc/dataset/au34-3coo_300", "/home/liujc/dataset/au34-3ov-3o2_300", "/home/liujc/dataset/au34_500", "/home/liujc/dataset/au34-6ov_300", "/home/liujc/dataset/au34-8co-2o2_300", "/home/liujc/dataset/au34-9co-3auco_300", "/home/liujc/dataset/aunp_au182_1_opt", "/home/liujc/dataset/aunp_au182_2_opt", "/home/liujc/dataset/aunp_au182_3_opt", "/home/liujc/dataset/aunp_au182_4_opt", "/home/liujc/dataset/aunp_au182_500", "/home/liujc/dataset/aunp_au182_5_opt", "/home/liujc/dataset/aunp_au201_1_opt", "/home/liujc/dataset/aunp_au201_2_opt", "/home/liujc/dataset/aunp_au201_3_opt", "/home/liujc/dataset/aunp_au201_4_opt", "/home/liujc/dataset/aunp_au201_5_opt", "/home/liujc/dataset/aunp_au201_6_opt", "/home/liujc/dataset/aunp_au201_opt", "/home/liujc/dataset/aunp_auco1_300", "/home/liujc/dataset/aunp_auco2_300", "/home/liujc/dataset/aunp_auco_300", "/home/liujc/dataset/aunp_auco3_300", "/home/liujc/dataset/aunp_auco4_300", "/home/liujc/dataset/aunp_auco1_600", "/home/liujc/dataset/aunp_auco2_600", "/home/liujc/dataset/aunp_auco3_600", "/home/liujc/dataset/aunp_auco4_600", "/home/liujc/dataset/bulk-au-b_300", "/home/liujc/dataset/bulk-au-big_300", "/home/liujc/dataset/bulk-au-normal_300", "/home/liujc/dataset/bulk-au-small_300", "/home/liujc/dataset/bulk-ceo2-big_300", "/home/liujc/dataset/bulk-ceo2-normal_300", "/home/liujc/dataset/bulk-ceo2-small_300", "/home/liujc/dataset/ceo2-111-au_300", "/home/liujc/dataset/ceo2-111-au-co2_300", "/home/liujc/dataset/ceo2-111-au-co_300", "/home/liujc/dataset/ceo2-111-au-o2_300", "/home/liujc/dataset/ceo2-111-o2_300", "/home/liujc/dataset/ceo2-ov_300", "/home/liujc/dataset/ceo2-ov-au_300", "/home/liujc/dataset/ceo2-ov-au-co_300", "/home/liujc/dataset/ceo2-ov-au-coo_300", "/home/liujc/dataset/ceo2-ov-au-o2_300", "/home/liujc/dataset/ceo2-ov-co2_300", "/home/liujc/dataset/ceo2-ov-co_300", "/home/liujc/dataset/gas_18co-9o2_300", "/home/liujc/dataset/gas_32co-16o2_300", "/home/liujc/dataset/heterjunc_1v_300", "/home/liujc/dataset/heterjunc_4v_300", "/home/liujc/dataset/heterjunc_5v_300", "/home/liujc/dataset/au20ceo2-8co_500", "/home/liujc/dataset/au32-11co_600", "/home/liujc/dataset/au32-11co_opt", "/home/liujc/dataset/aunp_au28co13_500", "/home/liujc/dataset/aunp_au28co13_550", "/home/liujc/dataset/aunp_au28co13_600", "/home/liujc/dataset/aunp_au155_600", "/home/liujc/dataset/aunp_au155co_600", "/home/liujc/dataset/aunp_au28co13_450", "/home/liujc/dataset/au20ceo2-co2-coco_500", "/home/liujc/dataset/au20ceo2-co2-co_500", "/home/liujc/dataset/ceo2-ov-coco_opt", "/home/liujc/dataset/ceo2-ov-cococo_opt", "/home/liujc/dataset/aunp_au38_600-co2" ], "auto_prob": "prob_sys_size; 0:151:0.5; 151:157:0.5", "batch_size": "auto", "_comment": "that's all" }, "numb_steps": 2000000, "seed": 10, "disp_file": "lcurve.out", "disp_freq": 100, "save_freq": 5000, "_comment": "that's all" }, "_comment": "that's all" }