{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.892414, -7.022915, 0.0, 3.892414, 7.022915, 0.0, 0.0, 0.0, 14.875595]]}, "__ase_objtype__": "cell"}, "ctime": 24.994048006351548, "dipole": {"__ndarray__": [[3], "float64", [0.0009499675997490604, -2.8963332736762864e-06, 14.686139258074572]]}, "energy": -74.75505435341196, "forces": {"__ndarray__": [[20, 3], "float64", [1.8196104990351926e-05, -0.029001496972432057, 0.014273015596811324, 1.522355319703513e-05, -0.017665659458570772, 0.006787601489600576, 1.523839047261194e-05, 0.025603175182696458, -0.005546864094253571, 1.8035200623384675e-05, 0.03496673582642691, -0.016337086159167527, -0.003964621570085947, -0.0422766118622032, -0.05820147436828873, 0.0039648356855534785, -0.04227894283448999, -0.058204912011895045, -0.01219733526560733, -0.054109213120043534, 0.052894701192757694, 0.012184472460823256, -0.054112238353136506, 0.052900294349826876, 1.8196659191818335e-05, 0.02903599821484189, 0.014285723291238558, 1.5223759790087897e-05, 0.01767496044610466, 0.006756912099294318, 1.523524532096885e-05, -0.025604798736367337, -0.005606501923261002, 1.8035505017915666e-05, -0.0349661205966948, -0.016363946844427442, -0.00396736074422472, 0.042244030703901, -0.058165594253047924, 0.003967574772647988, 0.04224635885801064, -0.058169034846431246, -0.01220424368088089, 0.05409801759592275, 0.05287461898526795, 0.0121913797392304, 0.054101043733079175, 0.052880209137375185, 0.0740860379422268, -0.015247893911748198, 0.006199742660725938, -0.07414018864009046, -0.015248277320533063, 0.00619909073047698, 0.07407610296238183, 0.01527480055378301, 0.006113031078693363, -0.07413025438665466, 0.01527517513056749, 0.006112375790101594]]}, "mtime": 24.994048006351548, "numbers": {"__ndarray__": [[20], "int64", [53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 41, 41, 41, 41]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[20, 3], "float64", [3.892410000155374, -3.4374999996023066, 0.582239999268424, 3.8924099997661323, 3.3146099997353176, 0.766919999472956, 3.8924100001553734, 0.16438000027960822, 2.8974099999518277, 3.8924100001553734, 6.9143199996457545, 3.0753700006921325, 1.8939899999488825, 3.2578600000216764, 4.083959999478404, 5.8908300003618645, 3.2578600000216764, 4.083959999478404, 1.9054899997096684, -0.2121600000690788, 7.021010000041835, 5.879340000212645, -0.2121600000690786, 7.021010000041835, 3.892410000155374, 3.437499999602306, 8.020030000480986, 3.8924099997661323, -3.314609999735318, 8.204720000060476, 3.8924100001553734, -0.1643800002796082, 10.335219999914306, 3.8924100001553734, -6.9143199996457545, 10.513169999792092, 1.8939899999488825, -3.2578600000216764, 11.521750000690966, 5.890830000361865, -3.257860000021676, 11.521750000690966, 1.9054899997096681, 0.2121600000690788, 14.458810000629356, 5.879340000212645, 0.21216000006907923, 14.458810000629356, 1.6570199998887534, 1.7400200004763082, 1.8300099997845924, 6.12781000003356, 1.740020000476308, 1.8300099997845924, 1.6570199998887534, -1.7400200004763084, 9.267810000372112, 6.12781000003356, -1.7400200004763082, 9.267810000372112]]}, "stress": {"__ndarray__": [[6], "float64", [-0.0009880240205797624, -2.839204990009717e-05, 0.00010536341804011361, 1.8564861531781367e-07, -6.821928826331673e-08, -4.066263024275189e-12]]}, "unique_id": "ff4fef854e50874cbf9213c60c10fd78", "user": "cmr"}, "ids": [1], "nextid": 2}