{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.8448474 -5.632142 0.5245165 ] [ -5.3588071 8.8949574 -3.3178624 ] [ -8.1925556 -3.8613217 1.1936772 ] [ 1.663902 -1.2154727 -4.0389425 ] [ 1.387508 1.9066654 6.0634164 ] [ 0.7445539 -2.0396141 0.2978547 ] [ 6.9105513 1.9469276 -0.7226599 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.557947994023666e-09 -9.023686237425753e-09 8.403680735238433e-10 ] [ -8.585755450997048e-09 1.425129278929195e-08 -5.315801568311378e-09 ] [ -1.312592104692412e-08 -6.186519353127711e-09 1.912481702622006e-09 ] [ 2.665864883702362e-09 -1.947401943160652e-09 -6.471099246255504e-09 ] [ 2.223032878772966e-09 3.05481472756828e-09 9.7146639982553e-09 ] [ 1.192906851505461e-09 -3.267822026474034e-09 4.772158367353977e-10 ] [ 1.107192372969905e-08 3.119321883110254e-09 -1.157828796569666e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.491414 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.841127485073381e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6189306 2.3290284 3.5513078 ] [ 1.4110167 5.5324054 2.8580788 ] [ 0.6692134 3.3221109 2.2105389 ] [ 2.7621339 2.8777723 0.9042863 ] [ 2.9655511 4.5550886 4.5616855 ] [ 4.8686361 2.5912501 2.3573321 ] [ 3.8191557 4.9359472 2.1586606 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6189306e-10 2.3290284e-10 3.5513078e-10 ] [ 1.4110167e-10 5.532405400000001e-10 2.8580788e-10 ] [ 6.692134e-11 3.3221109e-10 2.2105389e-10 ] [ 2.7621339e-10 2.8777723e-10 9.042863e-11 ] [ 2.9655511e-10 4.555088600000001e-10 4.5616855e-10 ] [ 4.8686361e-10 2.5912501e-10 2.3573321e-10 ] [ 3.8191557e-10 4.935947200000001e-10 2.1586606e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.01e-05 1.13e-05 -1.18e-05 ] [ -7.8e-06 -6e-07 1.24e-05 ] [ -6.1e-06 5.3e-06 8.3e-06 ] [ 1.09e-05 4e-06 1.7e-06 ] [ -1.28e-05 2e-07 -2.4e-06 ] [ 6.6e-06 -1.98e-05 6.4e-06 ] [ -8e-07 -4e-07 -1.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.618198387008e-14 1.810459581504e-14 -1.890568412544e-14 ] [ -1.249697764224e-14 -9.6130597248e-16 1.986699009792e-14 ] [ -9.77327738688e-15 8.491536090240001e-15 1.329806595264e-14 ] [ 1.746372516672e-14 6.4087064832e-15 2.72370025536e-15 ] [ -2.050786074624e-14 3.2043532416e-16 -3.84522388992e-15 ] [ 1.057436569728e-14 -3.172309709184e-14 1.025393037312e-14 ] [ -1.28174129664e-15 -6.408706483200001e-16 -2.339177866368e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.988725 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.721893801220048e-18 } }