{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.895353, 0.0, 0.0, 0.0, 12.579929, 0.0, 0.0, 0.0, 32.616296]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71]}}],
 "ctime": 23.77145445463118,
 "energy": -223.01319335,
 "forces": {"__ndarray__": [[73, 3], "float64", [0.00172, 0.004775, -0.001607, 0.00427, 0.0, -0.000497, 0.00172, -0.004775, -0.001607, -0.00172, 0.004775, -0.001607, -0.00427, 0.0, -0.000497, -0.00172, -0.004775, -0.001607, 0.0, 0.002753, -0.001266, 0.0, 0.0, 0.000897, 0.0, -0.002753, -0.001266, 0.0, 0.0, 0.008482, 0.0, 0.002453, 0.00136, 0.0, -0.002453, 0.00136, 0.002604, 0.0, 0.004132, 0.00018, 0.006117, -0.005365, 0.00018, -0.006117, -0.005365, -0.002604, 0.0, 0.004132, -0.00018, 0.006117, -0.005365, -0.00018, -0.006117, -0.005365, -1.8e-05, -0.001382, -0.002062, -0.000615, 0.0, 0.001632, -1.8e-05, 0.001382, -0.002062, 1.8e-05, -0.001382, -0.002062, 0.000615, 0.0, 0.001632, 1.8e-05, 0.001382, -0.002062, 0.0, 0.003276, 0.002496, 0.0, 0.0, 0.000216, 0.0, -0.003276, 0.002496, 0.0, 0.0, -0.006925, 0.0, 0.000103, -0.000303, 0.0, -0.000103, -0.000303, -0.001169, 0.0, -0.00152, -0.001175, -0.00328, 0.001247, -0.001175, 0.00328, 0.001247, 0.001169, 0.0, -0.00152, 0.001175, -0.00328, 0.001247, 0.001175, 0.00328, 0.001247, -0.002601, -0.00054, 0.000485, -0.001106, 0.0, 0.001747, -0.002601, 0.00054, 0.000485, 0.002601, -0.00054, 0.000485, 0.001106, 0.0, 0.001747, 0.002601, 0.00054, 0.000485, 0.0, -0.001112, 0.001654, 0.0, 0.0, 0.007528, 0.0, 0.001112, 0.001654, 0.0, 0.0, -0.006208, 0.0, 0.00082, -0.005361, 0.0, -0.00082, -0.005361, -0.000235, 0.0, 0.00118, -0.001551, -0.001678, -0.00412, -0.001551, 0.001678, -0.00412, 0.000235, 0.0, 0.00118, 0.001551, -0.001678, -0.00412, 0.001551, 0.001678, -0.00412, -0.012379, 0.054907, -0.514972, 0.018099, 0.0, -0.506338, -0.012379, -0.054907, -0.514972, 0.012379, 0.054907, -0.514972, -0.018099, 0.0, -0.506338, 0.012379, -0.054907, -0.514972, 0.0, 0.035296, -0.513376, 0.0, 0.0, -0.521482, 0.0, -0.035296, -0.513376, 0.0, 0.0, 0.491703, 0.0, 0.018657, 0.525513, 0.0, -0.018657, 0.525513, 0.035755, 0.0, 0.535911, 0.007225, -0.007231, 0.510554, 0.007225, 0.007231, 0.510554, -0.035755, 0.0, 0.535911, -0.007225, -0.007231, 0.510554, -0.007225, 0.007231, 0.510554, 0.0, 0.0, -0.004781]]},
 "free_energy": -223.07817233,
 "key_value_pairs": {"str_E": -223.01319, "slab_E": -218.52697, "atom_E": -1.5326215, "ads_E": -2.9535985000000027, "distance": 0.489749, "Dipole_val": 0.57823, "plane_index": 110, "ads_site": "2f"},
 "magmom": -1.9e-06,
 "mtime": 24.87282595282711,
 "numbers": {"__ndarray__": [[73], "int32", [79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 8]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[73, 3], "float64", [0.71242, 3.99873, 11.47063, 0.77269, 8.38662, 11.42394, 0.71242, 0.19457, 11.47063, 3.73525, 3.99873, 11.47063, 3.67498, 8.38662, 11.42394, 3.73525, 0.19457, 11.47063, 6.67151, 4.08308, 11.41943, 6.67151, 8.38662, 11.39621, 6.67151, 0.11022, 11.41943, 2.22384, 2.09666, 9.70732, 2.22384, 6.18716, 10.3222, 2.22384, 10.58607, 10.3222, 5.21593, 2.09666, 9.99815, 5.14161, 6.21341, 10.36517, 5.14161, 10.55983, 10.36517, 8.1271, 2.09666, 9.99815, 8.20142, 6.21341, 10.36517, 8.20142, 10.55983, 10.36517, 0.72042, 4.27621, 8.58416, 0.73929, 8.38662, 8.63356, 0.72042, 12.49703, 8.58416, 3.72726, 4.27621, 8.58416, 3.70838, 8.38662, 8.63356, 3.72726, 12.49703, 8.58416, 6.67151, 4.24436, 8.57197, 6.67151, 8.38662, 8.64791, 6.67151, 12.52887, 8.57197, 2.22384, 2.09666, 7.02012, 2.22384, 6.32769, 7.22247, 2.22384, 10.44554, 7.22247, 5.18196, 2.09666, 7.13422, 5.20265, 6.33203, 7.22651, 5.20265, 10.44121, 7.22651, 8.16107, 2.09666, 7.13422, 8.14038, 6.33203, 7.22651, 8.14038, 10.44121, 7.22651, 0.73091, 4.23492, 5.70697, 0.73838, 8.38662, 5.73229, 0.73091, 12.53831, 5.70697, 3.71677, 4.23492, 5.70697, 3.7093, 8.38662, 5.73229, 3.71677, 12.53831, 5.70697, 6.67151, 4.21763, 5.70712, 6.67151, 8.38662, 5.7232, 6.67151, 12.55561, 5.70712, 2.22384, 2.09666, 4.22074, 2.22384, 6.30456, 4.27557, 2.22384, 10.46868, 4.27557, 5.18937, 2.09666, 4.25927, 5.1889, 6.30346, 4.26738, 5.1889, 10.46978, 4.26738, 8.15366, 2.09666, 4.25927, 8.15413, 6.30346, 4.26738, 8.15413, 10.46978, 4.26738, 0.74128, 4.19331, 2.81687, 0.74128, 8.38662, 2.81687, 0.74128, 0.0, 2.81687, 3.7064, 4.19331, 2.81687, 3.7064, 8.38662, 2.81687, 3.7064, 0.0, 2.81687, 6.67151, 4.19331, 2.81687, 6.67151, 8.38662, 2.81687, 6.67151, 0.0, 2.81687, 2.22384, 2.09666, 1.3343, 2.22384, 6.28996, 1.3343, 2.22384, 10.48327, 1.3343, 5.18895, 2.09666, 1.3343, 5.18895, 6.28996, 1.3343, 5.18895, 10.48327, 1.3343, 8.15408, 2.09666, 1.3343, 8.15408, 6.28996, 1.3343, 8.15408, 10.48327, 1.3343, 2.22384, 2.09666, 11.96038]]},
 "stress": {"__ndarray__": [[6], "float64", [0.01268256554003013, 0.0072976348850739645, 0.0020049412519801014, -0.0, -0.0, -0.0]]},
 "unique_id": "e35afc5670b3f038579c43aaf66a95ed",
 "user": "hecc"},
"ids": [1],
"nextid": 2}