{"1": { "calculator": "unknown", "calculator_parameters": {"energy": -527.08800486}, "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 20.351458074257554, "energy": -527.08800486, "forces": {"__ndarray__": [[60, 3], "float64", [-0.000768, -0.001531, 0.000533, -0.002442, -0.00627, 0.004331, -0.000844, 0.002176, 0.0017, 0.000318, 0.001771, 0.00265, 0.002014, 0.000977, 0.002185, 0.003324, 0.00235, -0.004433, -0.000656, 0.000773, 0.003868, -0.002431, 0.00302, -0.000285, -0.001473, -0.00152, 0.000727, -0.001491, -0.002248, 0.001714, -0.000806, 0.001521, 0.001482, 0.001591, 0.000821, 0.000799, 0.001547, -0.002387, -0.002783, 0.002057, -0.003414, -0.00252, 0.001442, -0.00553, 0.002771, 0.002654, -0.002385, -0.001449, 0.000909, 0.002982, -0.003558, -0.002344, -0.00317, 0.002541, -0.00041, 0.00383, -0.001892, 0.001183, 0.001871, -0.000456, 0.002308, 0.001679, 0.000168, 0.002716, 0.00145, 0.003004, 0.001298, 0.000429, 0.003793, 0.000852, 0.002615, 0.000525, 0.000329, -0.00128, -6.2e-05, -0.000448, 7.1e-05, -0.001918, 0.001356, 0.000321, 0.003184, -0.002002, -0.001163, 0.000846, -0.002032, 0.002316, 0.000159, -0.001104, -0.00098, -0.003855, 0.000781, -0.000158, -0.002293, 0.000269, -0.000964, 0.000359, 0.00231, 0.001293, -0.000938, 0.000435, 0.001686, 0.000609, 0.001135, 0.000426, -0.001893, -0.000332, 0.001436, 0.000197, 0.000657, 0.000453, -0.002698, -0.003551, -0.000422, -0.001206, -0.00106, 0.00239, -0.00353, 0.000242, -0.000129, -0.002112, -0.00096, -0.002276, -0.002087, -0.000754, -0.001639, 0.003599, -0.000349, -0.000411, -0.000516, 0.002886, -0.005323, -0.004023, 0.000987, 0.000265, -0.000236, -0.002333, 0.001698, 0.001224, 0.001388, 0.001363, 0.001386, -0.001949, -0.002226, -6.8e-05, -0.000385, -0.000297, -0.001138, 0.004529, -0.002793, -0.000394, 0.001079, -0.002007, 0.000151, -0.001951, -0.0033, -6.2e-05, -0.004919, -0.000157, 0.005462, -2.1e-05, 0.004923, 0.001803, 0.000185, 0.001181, -0.000679, -0.001097, 0.000146, -0.001089, 0.001903, -5.3e-05, -0.006902, -0.000551, 0.001296, 0.002026, 0.001156, 0.00356, 0.001273, -0.006379, 0.000946, 4e-06]]}, "key_value_pairs": {"gap": 0.9249999999999998, "symmetry_op_number": 1}, "mtime": 25.586350761172618, "numbers": {"__ndarray__": [[60], "int32", [5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[60, 3], "float64", [11.3029, 9.98819, 6.51658, 8.00656, 12.30347, 11.8455, 11.9573, 11.42712, 12.61102, 8.99899, 9.2511, 6.66741, 12.34772, 12.59379, 10.61124, 9.25659, 7.73005, 12.55657, 8.25549, 6.98229, 10.60453, 10.99292, 9.28766, 13.32923, 11.99725, 12.29018, 8.16517, 8.40708, 7.39364, 8.17398, 10.36453, 8.7515, 6.58706, 13.20167, 11.42215, 10.61979, 9.63419, 6.58103, 10.59237, 10.36851, 11.22438, 6.59091, 12.96548, 10.69839, 11.85451, 12.83788, 11.15825, 8.16979, 9.7399, 6.95912, 8.17488, 10.73578, 7.66377, 7.38225, 13.42856, 10.72257, 9.42926, 12.97241, 9.29978, 11.85284, 11.54503, 7.45882, 11.78626, 12.55406, 9.98925, 7.35629, 10.3664, 6.55025, 9.40999, 12.82927, 8.83586, 8.15924, 13.20496, 8.57707, 10.61734, 11.74422, 7.00765, 9.38116, 12.3293, 7.4171, 10.59533, 11.9484, 8.58844, 12.59458, 11.99596, 7.68161, 8.14335, 7.64924, 7.39563, 9.40827, 9.62091, 8.8325, 13.32226, 6.56133, 10.72348, 10.61424, 7.17854, 11.17496, 11.84817, 7.65363, 12.58998, 9.4175, 8.24928, 13.02291, 10.60883, 6.79894, 11.41554, 9.42226, 9.63221, 13.46954, 10.60985, 8.41592, 12.58662, 8.1828, 9.24429, 12.30392, 12.61043, 7.56067, 9.99892, 12.61239, 7.03633, 10.68789, 8.18752, 6.56576, 9.2686, 10.61329, 10.24569, 13.03211, 11.84798, 8.03528, 11.4122, 7.42012, 13.42285, 9.27254, 9.4289, 7.18422, 8.82786, 11.84762, 8.75543, 9.99952, 13.34199, 7.02858, 9.29276, 8.18158, 9.60948, 11.17755, 13.35478, 9.75018, 13.01389, 8.18641, 10.36624, 13.45245, 9.41802, 6.7957, 8.56948, 9.41843, 9.00359, 10.7279, 6.67053, 11.57833, 12.59903, 11.84147, 8.02058, 7.69847, 11.83102, 10.99405, 10.73689, 13.3547, 11.74953, 12.99633, 9.40776, 10.73947, 12.30483, 7.39666, 8.02527, 8.56744, 7.40911, 10.2392, 7.01379, 11.80668]]}, "stress": {"__ndarray__": [[6], "float64", [3.070198339021974e-05, 4.579395245660547e-05, 4.2598299784153245e-05, 8.475969392949465e-06, 3.214377199829878e-06, 6.266475162386792e-06]]}, "unique_id": "61caa791b955795ba7a45fc109cb3a8e", "user": "hecc"}, "ids": [1], "nextid": 2}