{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.202551417075903, -1.5275853223489415e-18, 0.0, -1.6012757085379514, 2.7734908841135884, 0.0, -6.700327240406466e-20, 0.0, 20.914698750437907]]}, "__ase_objtype__": "cell"}, "ctime": 24.76134096016773, "dipole": {"__ndarray__": [[3], "float64", [3.1725077528729004, -1.8316482051273548, 6.073146223970543e-08]]}, "energy": -29.333376795161154, "free_energy": -29.346211648064116, "initial_magmoms": {"__ndarray__": [[4], "float64", [1.0, 1.0, 1.0, 1.0]]}, "magmom": 0.7413592478938895, "magmoms": {"__ndarray__": [[4], "float64", [0.22880348, 0.22880347, 0.02595143, 0.02595142]]}, "mtime": 24.76134096016773, "numbers": {"__ndarray__": [[4], "int64", [73, 73, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[4, 3], "float64", [1.60127571, 0.92449696, 9.07131004, 1.60127571, 0.92449696, 11.84338839, -0.0, 1.84899392, 7.50063725, -0.0, 1.84899392, 13.41406125]]}, "unique_id": "a23bfda1a1be8e9bfa213f10fea5839a", "user": "cmr"}, "ids": [1], "nextid": 2}