{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [6.40506, -6.40506, 0.0, -6.40506, 0.0, -6.40506, 6.40506, 6.40506, 0.0]]}, "__ase_objtype__": "cell"}, "ctime": 24.723035118890174, "dipole": {"__ndarray__": [[3], "float64", [-0.0003249265914461013, 23.785750142491597, 6.739966743390412e-05]]}, "energy": -126.32239585437604, "forces": {"__ndarray__": [[32, 3], "float64", [2.193985246603962e-05, -2.41316768646276e-05, -1.957071689316581e-05, 2.2747402140817473e-05, -2.1782979517560147e-05, -2.4764076864245795e-05, 2.5417716568696795e-05, -2.3435004653803718e-05, -2.3305060393975328e-05, 0.006931709645322631, 0.00015718215492288584, 0.001102908964324526, -1.0558921507377044e-05, 0.0034151763110422287, 6.57519999903122e-06, -0.0019719137719055773, 0.00010517113336789548, -0.0021692169593671576, -0.04083852688725048, -0.04164415184340942, 0.03949418033470349, -0.043078893865519385, -0.041050195581897486, -0.04070463138399755, -0.040839827725248634, 0.04165480052390651, 0.03949366782758818, 0.043072420514179484, -0.0410497589019876, 0.04071397286868498, -5.0022482815237555e-06, -0.0006040817152485057, 3.2262061791356856e-06, -0.001966247725784687, -8.395845032778164e-05, -0.0022028393652374356, 0.006947860800162131, -0.00015548690147396547, 0.0010826868343347563, -7.140170486846722e-06, 0.003535600645692389, 7.724310809736007e-06, 2.3646144375844288e-05, -2.606400130675718e-05, -2.4866925973391085e-05, -7.13655036030915e-06, -0.0035348637119441704, 7.726810190617583e-06, -0.006952775482667002, 0.00017524675884400738, -0.0010691339422495697, 0.001954226742420535, 0.0001040324062614438, 0.002209301159719764, -5.001516438920027e-06, 0.0006176076640811059, 3.226661663258646e-06, 0.04306781451306316, 0.04104859275571743, 0.04071396449061, -0.043074289558130856, 0.04104903232744561, -0.04070462575632101, 0.040831590673703975, -0.04164609836568074, -0.03948635482154324, 0.040832895154769476, 0.04165674329723384, -0.039485837643441525, -1.0550697543315944e-05, -0.003411353409044406, 6.582191117200697e-06, -0.0069689255348999515, -0.0001735435978543857, -0.0010489127838338667, 0.0019485561055555267, -8.281472786197095e-05, 0.002242918417057072, -2.6794534882895817e-06, -7.807243415402242e-05, 4.150352047087946e-06, -4.5841085709068556e-05, -4.9714652589155836e-05, -2.6101408326837362e-05, -2.6777931897133938e-06, 8.074901401566724e-05, 4.145281488005016e-06, 2.739423113196504e-05, 4.446405474546439e-05, -3.5528037443769354e-05, 4.250747759160737e-05, 5.182302408583313e-05, -3.333725674248954e-05, 3.718171139000282e-05, -3.703965537390983e-05, -3.743532357308035e-05]]}, "mtime": 24.723035118890174, "numbers": {"__ndarray__": [[32], "int64", [46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 52, 52, 52, 52, 52, 52]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[32, 3], "float64", [1.601260000210164, -1.601260000210164, -1.601260000210164, 4.803790000210164, -4.803790000210164, -1.601260000210164, 1.6012600002101638, -4.803790000210164, -4.803790000210164, 3.356629999542192, 7.761682070758979e-17, 0.0, 6.405060000000001, -3.048430000457808, 0.0, -6.405062370362458e-10, 7.761682070758979e-17, -3.3566300001826983, 1.4774399999597039, 1.4774399999597039, -1.4774399999597039, 4.679969999959703, -1.7250900000402958, -1.725090000040296, -1.7250900000402958, 1.725090000040296, -4.679969999959704, 1.7250900000402958, -1.7250900000402958, -4.679969999959704, 6.40506, 0.0, 0.0, 3.2025299993594936, 3.2025299999999994, -0.15410000018269798, 0.1540999995421916, 3.2025299999999994, -3.20253, 3.2025299999999994, 0.15409999954219206, -3.20253, 4.803790000210164, -1.6012600002101638, -4.803790000210164, 6.40506, 3.048430000457808, 0.0, 9.453490000457808, -1.6615377625237216e-16, 0.0, 6.405060000640506, -1.6615377625237216e-16, -3.048429999817302, 3.20253, 3.20253, -3.20253, 4.927620000040296, 4.927620000040296, -1.4774399999597039, 1.4774399999597043, 4.927620000040296, -4.927620000040296, 4.927620000040295, 1.4774399999597043, -4.927620000040296, 8.130150000040295, 1.7250900000402962, -1.725090000040296, 3.20253, 6.250960000457808, -3.20253, 6.250960000457808, 3.2025300000000003, -3.20253, 3.202530000640506, 3.2025300000000003, -6.250959999817302, 0.0, 0.0, 0.0, -1.6012600002101642, -1.6012600002101638, -4.803790000210164, 3.2025300000000003, -3.2025300000000003, -3.20253, 4.803790000210164, 1.6012600002101642, -1.601260000210164, 1.6012600002101638, 1.6012600002101642, -4.803790000210164, 8.006320000210163, -1.6012600002101638, -1.601260000210164]]}, "stress": {"__ndarray__": [[6], "float64", [-0.012610192326529244, -0.01336918391285486, -0.01379332629197781, 2.9321935979577216e-11, 0.0005292310665635446, 2.4427587097047692e-11]]}, "unique_id": "953787f2d7cf41e24d418eb2d3476d4a", "user": "cmr"}, "ids": [1], "nextid": 2}