{"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": 20.63617578157548,
 "energy": -594.88789939,
 "forces": {"__ndarray__": [[78, 3], "float64", [-0.001809, 0.005915, -0.001569, 0.001955, -0.003247, 0.004279, 0.00829, 0.004859, 0.000752, -0.008142, -0.001915, 0.001159, -0.003025, 0.001634, 0.001385, 0.003738, -0.00374, -0.004863, -0.005871, -0.005091, 0.000789, 0.00323, -0.007396, 0.001213, 0.00119, 0.000463, -0.003499, 0.004025, -0.005286, -0.005627, 0.007477, 0.003189, -0.002998, 0.00188, -0.001419, 0.004099, -0.00492, 0.003917, 0.005086, 0.004625, 0.000803, 0.002014, -4.8e-05, -0.003111, 0.002343, -0.004747, 0.002482, -0.00629, -0.003125, 0.0041, 0.007215, -0.002182, 0.005846, -0.003219, 0.001515, -0.011039, 0.000131, -0.003738, -0.003979, 0.000202, 0.003437, -0.007354, -0.005588, -0.01394, -0.008007, -0.014453, 0.012122, 0.007971, 0.01134, 0.000326, 0.004127, 0.007309, -0.003472, -0.002985, -0.002598, 0.008837, -0.002081, -0.001395, -0.000411, -0.001319, 0.002615, 0.00336, 0.011159, -0.010736, 0.00189, -0.009252, 0.000269, 0.000333, 0.004555, -0.014682, 0.003162, 0.00173, -0.005379, 0.003139, -0.0016, 0.000347, -0.003004, -0.009078, 0.001343, -0.010932, 0.002694, 0.004303, 0.007553, 0.004599, 0.000173, 0.012398, 0.005865, -0.003056, 0.00069, -0.003129, -0.001338, 0.002621, 0.002387, -1.8e-05, -0.0004, 0.004443, 0.00044, -0.005705, -0.004539, 0.002534, -0.000664, -0.007215, 0.002018, -0.004656, 0.002021, -0.011166, -0.004313, 0.006969, 0.002824, -0.006504, 0.002786, 0.015124, -0.00662, -0.002747, 0.004146, 0.009556, 0.007515, -0.002234, 0.00165, -0.000877, -0.004109, 2.9e-05, 0.001898, 0.004834, 0.000812, 0.008271, -0.003506, -0.00202, -0.004273, 0.000431, -0.002214, 0.000732, -0.002226, -0.001612, 0.003421, -0.006419, -0.000333, -0.009028, 0.003057, 0.001742, 0.00461, 0.001624, -0.002251, 0.001121, -0.000258, 0.011296, -0.003727, -0.002758, -0.002104, 0.003897, -0.003445, 0.000368, 0.00653, 0.00073, -0.007947, 0.003434, -0.002987, -0.005349, -0.004326, 0.006559, 0.003906, -0.003612, 0.004289, -0.002253, 0.012983, 0.009161, 0.007098, -0.003875, -0.009305, -0.005606, -0.000908, -5.2e-05, -0.002398, -0.000406, 0.012877, 0.000564, -0.004405, 0.009572, 0.00443, 0.00525, 0.001572, -0.004326, -0.002216, -0.005537, 0.004683, -0.012336, -0.003177, -0.008725, -0.00179, -0.001533, 0.000174, -0.000451, -0.008677, -0.003806, 0.001362, -0.000909, 0.000335, -0.007931, 0.006027, 0.003509, 0.003148, 0.001996, 0.000313, 0.007044, 0.010216, -0.002066, -9.7e-05, -0.007835, 0.001828, 0.004122, 0.001938, 0.001153, -0.004064, 0.003106]]},
 "free_energy": -594.90402608,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 24.993192076270606,
 "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", [7.27364, 13.26723, 12.51725, 5.2239, 10.93764, 10.90325, 5.62806, 12.0446, 9.01823, 9.40806, 14.78899, 10.98188, 7.73405, 13.60408, 7.48153, 10.5865, 14.83423, 9.0976, 11.30083, 10.97207, 14.67805, 7.16777, 7.9577, 6.52762, 6.73492, 6.39862, 9.09846, 12.81799, 12.06159, 13.47235, 8.67285, 9.06405, 5.32165, 14.43493, 11.99138, 10.9017, 9.45238, 5.16583, 10.92631, 12.78793, 8.0068, 13.56557, 11.03381, 6.73328, 6.43641, 10.61332, 5.21093, 9.03082, 14.36555, 7.93643, 10.96878, 14.76466, 9.02631, 9.07304, 7.86372, 12.50599, 11.96537, 6.29157, 10.77668, 10.65863, 7.15655, 11.18668, 11.83852, 7.66797, 12.60934, 9.4314, 8.2403, 13.02467, 10.56643, 6.57084, 11.55939, 9.33315, 9.5781, 13.743, 10.66535, 8.27651, 12.80771, 8.03279, 9.26664, 12.33228, 12.58705, 7.62438, 10.05983, 12.46914, 7.08486, 10.70503, 8.17848, 6.55364, 9.27249, 10.58034, 10.2311, 12.98905, 11.81991, 8.00754, 11.41906, 7.41102, 7.22799, 8.8697, 11.72753, 8.8301, 10.05671, 13.25361, 7.0697, 9.29773, 8.2049, 9.62265, 11.19529, 13.34289, 9.75019, 13.07403, 8.16, 10.40864, 13.7689, 9.34055, 6.79583, 8.5836, 9.37351, 8.97922, 10.72912, 6.6563, 11.57422, 12.56906, 11.79413, 8.09468, 7.72253, 11.70818, 11.06801, 10.77512, 13.61386, 11.75729, 13.05298, 9.41924, 10.67616, 12.27846, 7.53159, 9.70276, 8.8894, 13.22986, 7.87217, 8.44245, 7.229, 7.47115, 7.19474, 9.33671, 10.30692, 11.131, 6.74711, 12.13948, 11.54138, 12.77063, 8.93194, 9.22478, 6.38576, 12.33843, 12.60914, 10.62609, 9.31729, 7.71171, 12.50055, 8.24344, 6.92843, 10.59783, 11.01284, 9.2769, 13.36689, 11.93079, 12.28742, 8.27219, 8.4498, 7.3923, 8.16629, 10.37373, 8.81366, 6.63365, 13.45041, 11.53721, 10.66325, 11.14667, 9.94017, 6.77106, 9.59178, 6.23119, 10.65955, 12.95989, 10.66713, 11.83374, 10.26529, 6.94506, 11.83229, 12.13463, 8.4603, 12.7911, 12.75568, 11.10978, 8.29145, 9.72069, 6.97591, 8.17182, 10.80356, 7.49461, 7.21096, 13.46392, 10.72193, 9.40196, 12.96269, 9.32997, 11.8293, 11.60473, 7.3879, 11.81369, 12.38611, 9.94286, 7.5004, 10.40613, 6.25688, 9.32466, 12.8211, 8.80434, 8.16934, 13.43397, 8.45598, 10.67633, 11.73058, 7.01039, 9.39414, 12.30803, 7.42884, 10.60776, 11.98616, 7.66793, 8.18915, 13.70869, 9.22349, 9.34091]]},
 "stress": {"__ndarray__": [[6], "float64", [7.954179230025624e-05, 0.0001043829986212716, 9.977676488636977e-05, -1.9454783945378117e-05, 7.945441117249388e-06, -1.453647475418211e-05]]},
 "unique_id": "f7f036ee04a3edcac9275d399942be23",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}