{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.07511e-09 0.0 0.0 ] "source-value" [ 10.7511 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.546640000000001e-10 8.989990000000001e-10 0.0 ] "source-value" [ -5.54664 8.98999 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.88053e-11 -1.17226e-11 1.00731e-09 ] "source-value" [ -0.388053 -0.117226 10.0731 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" 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-9.9647764 -12.5985303 3.753306 ] [ -2.0035886 -2.4034827 -9.7556194 ] [ 6.5873082 -0.1683447 -2.200875 ] [ 5.8781543 3.7001223 7.5975501 ] [ -6.653278 -0.8175416 3.5824783 ] [ -6.4852625 -9.9039003 1.4878329 ] [ 0.212802 -3.5981625 2.860286 ] [ 3.7828157 6.1765719 4.7158407 ] [ 0.0732957 -0.2853321 -2.3737581 ] [ -12.1218812 -9.096533 -5.9567996 ] [ -1.3123026 -4.2768034 3.2646854 ] [ -0.0843735 2.6540429 2.7947893 ] [ -0.8202997 7.1314919 -3.7256992 ] [ -6.1096286 -0.5259213 -15.0235776 ] [ -2.5966891 5.8766542 13.6931504 ] [ -0.1390814 2.3358957 2.8318176 ] [ 5.6324099 -7.7396361 -2.3747029 ] [ -4.6666242 -7.6350662 -13.0375427 ] [ -4.4899694 -3.7004305 14.0251057 ] [ 12.1556187 8.4965256 -8.2471525 ] [ -0.3413259 6.3114193 -6.0771615 ] [ -18.2412304 -9.9351261 -7.3366177 ] [ 4.2123492 -7.0364892 8.6509018 ] [ 4.3622798 2.220545 -0.9328042 ] [ 5.9412085 8.5013775 -5.4985857 ] [ -1.949453 -0.6891764 -2.1552692 ] [ -0.7053548 3.643224 8.589452 ] [ 6.2000811 3.8220712 4.5624266 ] [ 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-0.0884526 5.539659 1.8485437 ] [ -1.0195518 -0.9116312 -8.7079833 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.66546e-11 -1.76944e-12 -8.91954e-12 ] [ -8.01454e-12 -6.87123e-13 2.56707e-10 ] [ -1.3918600000000002e-11 3.76505e-13 5.21165e-10 ] [ -7.79243e-12 1.33655e-11 8.23057e-10 ] [ -1.4276e-10 2.2723800000000002e-10 -8.39582e-12 ] [ -1.5904e-10 2.44889e-10 2.49939e-10 ] [ -1.37203e-10 2.44373e-10 5.09418e-10 ] [ -1.42834e-10 2.03748e-10 7.7074e-10 ] [ -2.86888e-10 4.3196000000000003e-10 -7.83759e-12 ] [ -2.9526599999999997e-10 4.4746800000000004e-10 2.66137e-10 ] [ -2.76696e-10 4.81451e-10 4.9491e-10 ] [ -2.89647e-10 4.5729499999999997e-10 7.658960000000001e-10 ] [ -4.17187e-10 6.75043e-10 -1.84919e-12 ] [ -4.263e-10 6.73197e-10 2.57204e-10 ] [ -4.3237e-10 6.753300000000001e-10 5.111080000000001e-10 ] [ -4.09713e-10 6.78779e-10 7.84536e-10 ] [ 2.60085e-10 4.34026e-12 5.4447800000000006e-11 ] [ 2.55729e-10 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5.1975000000000007e-11 ] [ 5.05673e-10 4.72759e-10 2.60401e-10 ] [ 5.04362e-10 4.683869999999999e-10 5.39048e-10 ] [ 4.72881e-10 4.77988e-10 7.830390000000001e-10 ] [ 3.77924e-10 6.931320000000001e-10 3.07909e-11 ] [ 3.81833e-10 6.81599e-10 3.16615e-10 ] [ 3.60385e-10 6.97139e-10 5.46765e-10 ] [ 3.59881e-10 6.9444e-10 7.90601e-10 ] ] "source-value" [ [ -0.166546 -0.0176944 -0.0891954 ] [ -0.0801454 -0.00687123 2.56707 ] [ -0.139186 0.00376505 5.21165 ] [ -0.0779243 0.133655 8.23057 ] [ -1.4276 2.27238 -0.0839582 ] [ -1.5904 2.44889 2.49939 ] [ -1.37203 2.44373 5.09418 ] [ -1.42834 2.03748 7.7074 ] [ -2.86888 4.3196 -0.0783759 ] [ -2.95266 4.47468 2.66137 ] [ -2.76696 4.81451 4.9491 ] [ -2.89647 4.57295 7.65896 ] [ -4.17187 6.75043 -0.0184919 ] [ -4.263 6.73197 2.57204 ] [ -4.3237 6.7533 5.11108 ] [ -4.09713 6.78779 7.84536 ] [ 2.60085 0.0434026 0.544478 ] [ 2.55729 0.110167 2.66742 ] [ 2.52133 0.0269057 5.74083 ] [ 2.47204 0.302688 8.06951 ] [ 1.27451 2.30791 0.133273 ] [ 1.11048 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[ 5.37638 4.73646 0.51975 ] [ 5.05673 4.72759 2.60401 ] [ 5.04362 4.68387 5.39048 ] [ 4.72881 4.77988 7.83039 ] [ 3.77924 6.93132 0.307909 ] [ 3.81833 6.81599 3.16615 ] [ 3.60385 6.97139 5.46765 ] [ 3.59881 6.9444 7.90601 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.534772040991673e-17 "source-value" 95.792937 } }