{ "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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[ -0.2743854 0.3896848 -0.1109827 ] [ -0.6941585 1.0927192 -2.0651513 ] [ 3.2023649 0.0316325 1.5818832 ] [ 0.1455774 -0.41698 1.7150158 ] [ 0.9621719 -1.881775 -0.9122169 ] [ 1.0388489 -0.1425626 -1.3661836 ] [ 0.8117699 0.6369274 2.9298102 ] [ -1.8724921 0.4155482 0.3369641 ] [ -1.1877359 1.1991423 -1.3948106 ] [ 3.0444849 -0.6234975 0.0537948 ] [ 0.4065778 0.7128325 5.6283764 ] [ 0.5143546 -1.2189137 -0.4508273 ] [ -0.2090469 -0.1198394 0.2074819 ] [ 0.3694454 3.2304257 -4.5741374 ] [ -0.3352022 -0.646067 5.3207364 ] [ 0.338577 -0.0545458 -0.4158519 ] [ 1.2466245 0.5202826 -0.273054 ] [ 0.5645822 -0.5259454 -6.1194658 ] [ -0.7752798 -0.5694346 -0.2567453 ] [ -0.579542 -0.5606579 -1.5606906 ] [ -0.1772905 0.1594491 0.6978948 ] [ -0.3589128 0.0814474 -0.7793182 ] [ -1.20631 0.04678159999999999 -2.8175075 ] [ 0.6302976 -0.3915183 2.1224907 ] [ 0.0317026 -0.026838 0.1712998 ] [ 0.8753971 -0.5941912 -0.2008655 ] [ -0.6646425 -0.1502798 0.5372971 ] [ -0.8843036 1.0125304 -1.4882007 ] [ 0.2010811 0.3371448 0.2985753 ] [ -0.5446219 0.408953 -1.350479 ] ] } "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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[ 5.37638 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" -3.14253229538046e-17 "source-value" -196.14144 } }