{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [19.858398536, -0.040783978, -0.016539442, -0.040741136, 19.796367211, -0.013919691, -0.016523867, -0.013925698, 19.769860032]]},
 "ctime": 20.602644930771103,
 "energy": -587.56423004,
 "forces": {"__ndarray__": [[78, 3], "float64", [-0.00687, -0.010506, 0.008234, -0.014313, 0.000807, -0.002596, -0.02524, 0.029117, -0.018695, -0.004285, 0.017708, 0.000994, 0.001827, -0.008185, -0.002305, -0.013392, 0.022842, 0.009789, -0.008232, 0.00346, 0.020823, 0.009458, -0.007751, -0.001134, 0.006453, -0.001658, -0.005717, -0.00459, -0.018162, -0.020059, -0.000685, -0.005545, 0.002899, 0.013653, 0.005792, 0.012571, -0.0088, -0.001475, 0.012366, 0.010457, 0.00173, -0.004913, 0.000223, -0.012977, -0.002795, 0.016842, 0.003755, -0.003375, -0.000202, 0.017701, -0.003011, -0.010548, -0.008153, 0.01884, -0.016199, 0.03656, 0.000188, 0.031971, 0.046597, -0.045229, 0.016586, -0.011387, -0.011244, -0.001761, -0.014483, 0.000906, 0.014597, 0.010628, 0.02659, -0.01149, -0.014043, 0.020415, 0.016727, 0.001918, 0.024876, 0.028013, 0.026328, -0.027166, 0.024867, 0.019783, -0.013728, -0.015966, -0.015984, -0.011444, -0.024563, 0.012947, -0.018088, 0.011646, -4e-06, 0.027272, -0.016713, 0.020234, 0.005202, 0.011857, 0.002693, 0.001287, -0.008379, -0.037678, -0.007004, 0.037108, 0.011903, 0.008657, 0.016121, -0.025461, 0.002111, -0.019772, -0.022528, -0.005687, -0.044142, 0.024071, -0.001203, 0.032365, 0.001478, -0.029081, -0.006013, -0.003299, -0.015396, -0.005687, 0.011124, 0.0057, -0.013848, -0.001389, 0.010411, 0.010823, -0.015936, 0.026898, -0.008335, 0.011336, 0.001672, 0.002597, -0.019417, 0.007239, 0.011675, -0.02031, -0.003807, -0.013227, -0.0164, -0.005198, -0.00616, 0.019457, -0.004706, 0.00505, 0.004199, 0.001069, 0.001668, -0.003236, 0.001395, -0.003493, 0.006389, 0.016151, 0.003433, -0.010436, 0.003317, 0.019288, -0.025098, -0.00567, -0.024641, 0.018125, 0.016284, -0.006838, 0.001526, -0.019968, 0.018156, -0.022917, 0.01711, -0.006207, -0.000934, -0.006417, 0.001063, -0.017146, 0.007117, -0.024421, 0.004398, 0.006013, -0.015632, 0.002287, -0.025563, 0.01151, 0.006241, -2.8e-05, -0.019913, -0.007747, -0.000538, 0.02776, -0.020723, -0.001622, 0.013977, 0.006599, -0.006341, -0.018245, 0.008446, 0.032594, -0.007101, -0.003731, -0.012497, -0.000609, 0.008843, -0.011454, -0.008786, -0.017446, 0.00306, 0.019565, -0.016663, 0.027742, -0.031569, 0.002904, 0.009871, -0.011849, 0.005435, 0.020968, -0.016589, 0.013517, -0.018596, 0.008367, 0.01437, 0.005495, 0.003291, -0.005478, 0.012465, -0.003061, -0.041493, -0.011798, 0.024027, -0.02614, -0.016843, 0.007271, 0.011032, -0.006681, 0.001049, 0.00062, -0.013501, 0.017026, 0.037016, -0.015492]]},
 "free_energy": -587.67626621,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.586240240229582,
 "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", [6.91985, 13.17555, 12.37431, 5.26937, 11.07534, 10.8849, 6.72148, 13.50701, 9.33887, 9.00392, 14.33748, 10.63416, 7.75002, 13.46175, 7.29162, 9.0079, 13.12182, 13.64176, 6.61717, 10.23621, 13.09787, 5.79453, 10.72322, 7.12279, 5.15399, 8.79939, 10.69255, 11.27335, 6.83224, 6.67354, 14.69356, 11.1024, 9.06512, 13.98232, 8.93202, 12.47527, 12.16366, 6.40516, 11.92365, 13.24701, 9.90262, 6.27056, 10.22377, 4.88614, 9.04753, 13.65315, 7.97283, 7.43674, 14.19186, 7.64329, 10.59954, 12.56286, 5.59733, 9.01995, 7.6723, 12.47938, 11.97114, 6.22787, 10.7148, 10.44567, 7.38802, 11.14645, 11.40125, 7.32356, 12.57487, 9.2545, 8.14966, 12.44298, 10.54596, 6.49215, 11.33766, 9.12676, 9.43724, 13.31685, 10.52224, 8.16968, 12.63929, 7.90479, 9.08465, 12.42568, 12.78847, 7.46106, 9.97175, 12.42132, 6.66208, 10.60468, 7.81498, 6.19099, 9.12378, 10.48094, 10.12876, 12.88344, 11.7685, 7.90754, 11.29351, 7.25041, 7.11175, 8.75522, 11.62632, 8.75007, 9.91921, 13.14421, 6.94268, 9.12948, 8.04217, 9.54825, 11.05094, 13.25754, 9.65645, 12.84267, 8.08046, 10.23884, 13.21341, 9.28034, 6.70931, 8.45265, 9.23065, 8.88504, 10.60341, 6.60575, 11.41847, 12.4508, 11.72602, 7.88674, 7.64474, 11.64157, 10.93544, 10.61723, 13.23562, 11.62669, 12.84525, 9.30321, 10.6492, 12.14656, 7.3002, 9.54544, 8.73021, 13.11249, 7.96946, 8.43206, 7.31386, 7.51954, 7.24401, 9.27446, 10.28836, 11.0317, 6.57551, 11.88697, 11.30511, 12.50001, 8.9159, 9.14237, 6.60833, 12.20809, 12.44923, 10.48795, 9.14077, 7.63123, 12.39005, 8.10068, 6.80726, 10.45436, 10.94215, 9.15379, 13.11655, 11.89733, 12.10692, 8.07097, 8.36852, 7.24975, 8.08663, 10.29548, 8.74719, 6.66995, 13.09049, 11.31256, 10.51124, 11.12235, 9.85539, 6.61123, 9.4788, 6.34353, 10.48412, 12.86414, 10.60387, 11.68225, 10.07892, 6.87567, 11.61865, 11.86334, 8.48194, 12.38519, 12.75347, 11.05193, 8.04817, 9.64669, 6.78072, 8.09664, 10.72152, 7.50891, 7.36562, 13.66028, 10.71617, 9.23397, 13.11404, 9.11929, 11.81603, 11.51062, 7.2518, 11.61126, 12.54257, 9.86294, 7.12465, 10.27262, 5.9732, 9.23463, 12.95315, 8.61125, 8.0224, 13.34962, 8.35676, 10.43976, 11.84634, 6.40959, 9.22082, 12.05478, 7.51776, 10.17672, 11.78727, 7.71627, 8.4821, 13.57001, 9.20607, 9.24835]]},
 "stress": {"__ndarray__": [[6], "float64", [5.511252558154917e-05, 2.914784761787481e-05, 1.806292741030615e-05, 9.187501433300157e-06, 1.7039319913661292e-06, -1.2607848434284183e-06]]},
 "unique_id": "94d057c216917f17cb9672ad7376fdeb",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}