{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.80011, 0.0, 0.0, 0.0, 12.445235, 0.0, 0.0, 0.0, 32.26707]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71]}}],
 "ctime": 23.771454757060305,
 "energy": -187.09175985,
 "forces": {"__ndarray__": [[73, 3], "float64", [-0.0, -0.002725, -0.001449, -0.0, 0.002725, -0.001449, -0.0, 0.0, 0.001723, -0.000125, -0.001639, 0.000654, -0.000125, 0.001639, 0.000654, -0.001039, 0.0, 9.4e-05, 0.000125, -0.001639, 0.000654, 0.000125, 0.001639, 0.000654, 0.001039, 0.0, 9.4e-05, 2.5e-05, 0.003349, -0.001927, -0.000332, 0.0, -0.002572, 2.5e-05, -0.003349, -0.001927, -0.0, 0.002628, 0.001125, -0.0, 0.0, -0.001655, -0.0, -0.002628, 0.001125, -2.5e-05, 0.003349, -0.001927, 0.000332, 0.0, -0.002572, -2.5e-05, -0.003349, -0.001927, -0.0, -0.000569, 0.002103, -0.0, 0.000569, 0.002103, -0.0, 0.0, -0.004712, -0.000517, -0.000354, 0.003983, -0.000517, 0.000354, 0.003983, -0.001352, 0.0, 0.001181, 0.000517, -0.000354, 0.003983, 0.000517, 0.000354, 0.003983, 0.001352, 0.0, 0.001181, 0.000844, -0.001713, 0.000566, 0.002907, 0.0, -0.001665, 0.000844, 0.001713, 0.000566, -0.0, 0.00086, 0.002702, -0.0, 0.0, -0.001624, -0.0, -0.00086, 0.002702, -0.000844, -0.001713, 0.000566, -0.002907, 0.0, -0.001665, -0.000844, 0.001713, 0.000566, -0.0, 0.014448, -0.019299, -0.0, -0.014448, -0.019299, -0.0, 0.0, -0.118604, 0.02532, 0.006362, -0.003058, 0.02532, -0.006362, -0.003058, 0.001738, 0.0, 0.053726, -0.02532, 0.006362, -0.003058, -0.02532, -0.006362, -0.003058, -0.001738, 0.0, 0.053726, -0.001505, -0.000867, -0.022268, -0.007621, 0.0, 0.001394, -0.001505, 0.000867, -0.022268, -0.0, 0.005129, -0.007785, -0.0, 0.0, 0.003728, -0.0, -0.005129, -0.007785, 0.001505, -0.000867, -0.022268, 0.007621, 0.0, 0.001394, 0.001505, 0.000867, -0.022268, -0.0, -0.003897, -0.249585, -0.0, 0.003897, -0.249585, -0.0, 0.0, -0.257778, -0.006147, 0.008388, -0.246959, -0.006147, -0.008388, -0.246959, -0.015362, 0.0, -0.242497, 0.006147, 0.008388, -0.246959, 0.006147, -0.008388, -0.246959, 0.015362, 0.0, -0.242497, -0.022701, 0.00072, 0.255518, 0.008947, 0.0, 0.266852, -0.022701, -0.00072, 0.255518, -0.0, -0.001667, 0.289833, -0.0, 0.0, 0.250511, -0.0, 0.001667, 0.289833, 0.022701, 0.00072, 0.255518, -0.008947, 0.0, 0.266852, 0.022701, -0.00072, 0.255518, -0.0, 0.0, -0.005938]]},
 "free_energy": -187.14899321,
 "key_value_pairs": {"str_E": -187.09176, "slab_E": -183.62805, "atom_E": -0.94462243, "ads_E": -2.519087569999992, "distance": 1.93679, "Dipole_val": 3.07927, "plane_index": 110, "ads_site": "0t"},
 "magmom": 1e-07,
 "mtime": 25.095558050364943,
 "numbers": {"__ndarray__": [[73], "int32", [47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 16]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[73, 3], "float64", [0.73334, 4.14456, 11.50361, 0.73334, 8.30068, 11.50361, 0.73334, 0.0, 11.34203, 3.67379, 4.13602, 11.49622, 3.67379, 8.30922, 11.49622, 3.57962, 0.0, 11.65891, 6.59301, 4.13602, 11.49622, 6.59301, 8.30922, 11.49622, 6.68718, 0.0, 11.65891, 2.21162, 2.09322, 10.11902, 2.20371, 6.22262, 10.17933, 2.21162, 10.35202, 10.11902, 5.13339, 1.99989, 10.23614, 5.13339, 6.22262, 10.17285, 5.13339, 10.44534, 10.23614, 8.05517, 2.09322, 10.11902, 8.06309, 6.22262, 10.17933, 8.05517, 10.35202, 10.11902, 0.73334, 4.16558, 8.63595, 0.73334, 8.27966, 8.63595, 0.73334, 0.0, 8.58072, 3.67624, 4.14462, 8.64382, 3.67624, 8.30061, 8.64382, 3.65912, 0.0, 8.69344, 6.59056, 4.14462, 8.64382, 6.59056, 8.30061, 8.64382, 6.60768, 0.0, 8.69344, 2.20664, 2.07873, 7.18199, 2.20423, 6.22262, 7.19879, 2.20664, 10.3665, 7.18199, 5.13339, 2.05978, 7.21245, 5.13339, 6.22262, 7.20801, 5.13339, 10.38545, 7.21245, 8.06016, 2.07873, 7.18199, 8.06257, 6.22262, 7.19879, 8.06016, 10.3665, 7.18199, 0.73334, 4.14841, 5.72008, 0.73334, 8.29683, 5.72008, 0.73334, 0.0, 5.72008, 3.66672, 4.14841, 5.72008, 3.66672, 8.29683, 5.72008, 3.66672, 0.0, 5.72008, 6.60008, 4.14841, 5.72008, 6.60008, 8.29683, 5.72008, 6.60008, 0.0, 5.72008, 2.20003, 2.07421, 4.25338, 2.20003, 6.22262, 4.25338, 2.20003, 10.37103, 4.25338, 5.13339, 2.07421, 4.25338, 5.13339, 6.22262, 4.25338, 5.13339, 10.37103, 4.25338, 8.06677, 2.07421, 4.25338, 8.06677, 6.22262, 4.25338, 8.06677, 10.37103, 4.25338, 0.73334, 4.14841, 2.78671, 0.73334, 8.29683, 2.78671, 0.73334, 0.0, 2.78671, 3.66672, 4.14841, 2.78671, 3.66672, 8.29683, 2.78671, 3.66672, 0.0, 2.78671, 6.60008, 4.14841, 2.78671, 6.60008, 8.29683, 2.78671, 6.60008, 0.0, 2.78671, 2.20003, 2.07421, 1.32001, 2.20003, 6.22262, 1.32001, 2.20003, 10.37103, 1.32001, 5.13339, 2.07421, 1.32001, 5.13339, 6.22262, 1.32001, 5.13339, 10.37103, 1.32001, 8.06677, 2.07421, 1.32001, 8.06677, 6.22262, 1.32001, 8.06677, 10.37103, 1.32001, 0.73334, 0.0, 13.5957]]},
 "stress": {"__ndarray__": [[6], "float64", [0.005340765736381417, 0.003634980016804899, 0.0011782533682568638, -0.0, -0.0, -0.0]]},
 "unique_id": "4cd20c3acef312916b2d960137077b79",
 "user": "hecc"},
"ids": [1],
"nextid": 2}