{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.9688625 0.1064598 -0.6627950999999999 ] [ -0.3043192 -0.9201733 0.31722969999999995 ] [ 0.2835075 0.2765556 1.6648846999999998 ] [ -2.7267154 -2.3560767 2.7728893999999995 ] [ 1.4388173 2.9237688 -1.0440365999999999 ] [ -1.4036576 0.9306821 -1.9054355999999997 ] [ -0.7359171 -0.7518258 -2.5115440999999996 ] [ -0.5205779 -0.2093905 1.3688075999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.358818708669841e-09 1.705674026150438e-10 -1.061914813600798e-09 ] [ -4.875731075005594e-10 -1.474280148344385e-09 5.082580087633977e-10 ] [ 4.54229088321456e-10 4.430909166713165e-10 2.667439342667621e-09 ] [ -4.36867966545532e-09 -3.774851005551616e-09 4.442658568744138e-09 ] [ 2.30523943966258e-09 4.684394015984471e-09 -1.672731031779521e-09 ] [ -2.248907390328238e-09 1.491117102017047e-09 -3.05284437076002e-09 ] [ -1.179069172466936e-09 -1.204557719674257e-09 -4.023937239128177e-09 ] [ -8.340577406851604e-10 -3.354805637176224e-10 2.193071535093358e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.613743 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.705950641377966e-18 } }