{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 20.602643564525323,
 "energy": -595.85988881,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.000851, 0.002033, 0.000472, 0.000186, 0.00037, 0.002079, 0.002537, 0.000713, -0.000242, -0.001513, 0.0021, -0.000428, 4.6e-05, 0.0011, -5.8e-05, -0.001834, 0.001506, 0.001482, 9.5e-05, -0.000407, 0.001946, -0.002542, 0.00121, -0.000705, 0.001326, 0.002171, -0.001795, -0.001479, 0.000431, -6.9e-05, -0.002668, 0.002414, -0.000302, 0.002839, 0.001558, 0.002727, -0.002179, 0.000196, 0.000873, -0.001264, -0.000379, -0.001227, -0.001847, 0.001118, 0.000499, -0.002484, -0.001152, -0.001553, -0.000445, 0.000666, 0.001327, -0.001454, 0.003403, 0.000925, -0.000298, 0.000969, -0.002439, 0.003069, 0.003292, 0.001082, -0.000116, 0.002995, -3.3e-05, -0.002068, -0.000976, 0.000107, 0.00011, 0.000415, 0.000933, 0.001082, 0.002682, 0.001793, -0.000165, -0.000874, 0.000153, 0.000675, -0.000106, -0.000477, 0.000786, -0.001683, 0.000233, 0.001306, 0.000502, 0.002047, 0.001944, 0.001906, 0.002267, 0.003668, 0.000504, -0.001247, -0.000127, 0.000884, -0.000173, -0.003498, 0.000934, -0.00201, -0.000854, 0.001636, 0.000949, -0.000997, 0.001736, 0.001855, 0.000328, 0.001215, -0.000449, 0.000466, 0.000568, -0.001208, -0.001731, -0.000485, 0.00058, 0.000147, -0.0006, 0.000303, 0.000995, 0.002392, 0.003385, -0.002073, 0.0011, -5.1e-05, -0.00163, -0.000429, 4.8e-05, 0.002305, -0.00287, 0.000568, 0.002265, 0.000202, -0.002916, -0.000517, -0.002286, 0.001052, -0.000249, -0.001607, 4.1e-05, 0.001693, -0.00245, -0.000409, 0.001532, 0.001095, 0.000354, 0.002506, 0.002268, 2.2e-05, -0.000341, -0.001481, 0.000423, -0.001088, -0.001683, 0.000256, -0.001518, -0.000652, 0.001299, 0.001744, -0.001393, -0.002103, -0.000368, 0.000736, 0.000716, -0.000101, 0.002, 1e-06, 0.000429, 0.000415, -0.00079, -0.000409, -0.00059, -0.00228, -0.003685, 0.002581, 0.002835, -0.00018, -0.003216, -0.002881, 0.002167, 0.000448, -0.00068, 0.000493, -0.001947, -0.003995, -0.001151, -0.002748, 0.001114, 0.002938, -0.000769, -0.000742, 0.00172, -0.002653, 0.003025, 0.000429, -0.001095, -0.004233, -0.002001, -0.003853, 0.0018, 0.00824, 0.001064, -0.000597, -0.001746, -0.000903, -0.00091, -0.000946, -0.000221, -0.000733, 0.000762, -0.001424, 0.000178, -0.000709, -0.001938, 0.001229, -0.000944, -0.002216, -0.002141, -0.000518, -0.001063, 0.000736, 0.003478, 0.002512, -0.000881, -0.000647, -0.002974, 0.002865, -0.00412, -0.002894, -0.0084, 0.00255, 0.00064, 0.004345, -0.003769, -0.007269, 0.002783, 0.000566, 0.000608, -0.004549]]},
 "free_energy": -595.86063459,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.157975783307386,
 "numbers": {"__ndarray__": [[78], "int32", [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 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, 6, 6]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[78, 3], "float64", [7.31686, 13.21095, 12.5993, 5.23172, 10.91744, 10.82755, 6.11729, 11.56115, 12.59951, 6.78781, 13.62218, 9.09205, 7.65538, 14.25245, 10.8275, 5.56325, 11.93714, 9.09233, 9.74455, 14.77323, 10.8286, 7.9823, 13.4935, 7.30543, 9.21113, 13.13406, 13.61864, 6.7744, 9.78235, 13.61961, 6.05403, 10.84062, 7.30583, 5.38127, 8.76991, 10.8293, 10.56969, 11.57435, 5.32778, 12.80833, 11.97053, 13.58587, 8.67976, 8.9718, 5.32731, 13.33148, 13.57916, 10.848, 8.99187, 6.72039, 13.58752, 7.62408, 5.72646, 10.848, 7.90138, 12.50085, 12.00217, 6.29854, 10.73386, 10.65248, 6.97324, 11.22406, 12.00253, 7.48806, 12.80682, 9.3093, 8.15908, 13.29442, 10.65167, 6.55491, 11.52292, 9.30975, 9.69195, 13.68326, 10.63989, 8.37176, 12.72481, 8.00079, 9.28633, 12.43656, 12.76168, 7.46133, 9.92623, 12.76312, 6.90546, 10.7072, 8.00102, 6.40179, 9.15637, 10.64084, 10.33635, 12.95354, 11.8002, 8.13521, 11.35456, 7.39978, 7.29492, 8.76814, 11.80085, 8.86637, 9.9229, 13.26656, 7.17214, 9.24774, 8.16101, 9.72333, 11.10187, 13.26558, 9.84213, 12.92197, 8.16113, 10.46201, 13.37207, 9.4004, 6.93563, 8.52003, 9.40091, 9.02606, 10.70742, 6.63453, 11.62885, 12.59788, 11.8374, 8.03152, 7.6485, 11.8385, 11.03714, 10.71196, 13.33067, 11.78808, 13.02013, 9.40201, 10.77871, 12.28754, 7.38502, 9.64273, 8.79349, 13.3316, 8.06439, 8.55214, 7.38475, 7.67949, 7.3675, 9.40272, 10.44105, 11.22813, 6.3731, 12.17682, 11.53018, 12.78798, 8.96872, 9.20031, 6.37289, 12.5841, 12.7831, 10.65515, 9.21553, 7.45668, 12.78954, 8.15002, 6.68341, 10.65613, 11.03069, 9.25064, 13.31236, 12.01397, 12.27466, 8.16573, 8.45808, 7.38178, 8.16577, 10.42792, 8.81688, 6.63373, 13.25015, 11.40451, 10.61618, 11.25701, 9.95846, 6.63357, 9.66703, 6.47565, 10.61735, 13.02066, 10.69943, 11.81678, 10.26665, 6.91088, 11.81855, 11.97233, 8.56675, 12.58325, 12.81492, 11.15944, 8.16995, 9.76583, 6.96394, 8.17026, 10.77714, 7.69696, 7.3978, 13.44172, 10.70532, 9.41854, 12.9842, 9.30003, 11.8112, 11.5864, 7.3781, 11.81179, 12.4298, 9.97142, 7.3977, 10.39088, 6.50906, 9.41947, 12.81004, 8.82314, 8.16251, 13.20357, 8.57393, 10.59725, 11.74885, 6.95985, 9.40568, 12.34482, 7.39259, 10.59776, 11.9865, 7.68958, 8.16293, 13.43211, 9.27395, 9.40492]]},
 "stress": {"__ndarray__": [[6], "float64", [9.705546690748467e-05, 8.378601850585685e-05, 9.66684933416799e-05, 5.835811032700846e-06, -1.2657780507291245e-05, 1.5791018088484645e-06]]},
 "unique_id": "749a67ed7f18a7ea7a69de103266ff06",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}