{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.498941 0.2917441 1.412179 ] [ 0.7321813 1.344758 2.47059 ] [ 0.7391833 1.573141 0.3619984 ] [ 0.011627 2.973124 1.6693 ] [ 2.701347 1.320916 0.403113 ] [ 2.713757 1.097636 2.168947 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.498941e-10 2.917441e-11 1.412179e-10 ] [ 7.321813e-11 1.344758e-10 2.47059e-10 ] [ 7.391833000000001e-11 1.573141e-10 3.619984e-11 ] [ 1.1627e-12 2.973124e-10 1.6693e-10 ] [ 2.701347e-10 1.320916e-10 4.03113e-11 ] [ 2.713757e-10 1.097636e-10 2.168947e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.5688276 -62.9535113 -18.2958503 ] [ -30.4654618 12.2746227 44.640792 ] [ -20.2456907 12.5508672 -27.0129927 ] [ -5.9409926 13.4001176 -0.3326113 ] [ 30.3718096 10.6390694 -40.8668568 ] [ 41.849163 14.0888345 41.8675191 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.494401159398577e-08 -1.008626440021286e-07 -2.931318360831667e-08 ] [ -4.881105063783549e-08 1.966611351908097e-08 7.152243327639567e-08 ] [ -3.243717231148799e-08 2.010870599860556e-08 -4.327958536178107e-08 ] [ -9.518519448065806e-09 2.146935513469061e-08 -5.32902048673895e-10 ] [ 4.866100327250899e-08 1.704566825974868e-08 -6.54759225305415e-08 ] [ 6.704975055864839e-08 2.257280125022046e-08 6.707916027291746e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 21.84469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.499905160662356e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2668798 -0.0580977 1.2747899 ] [ 0.7038783 1.4064728 3.1372006 ] [ 0.575995 1.7323598 -0.2243571 ] [ -0.0978273 2.9465455 1.6179951 ] [ 2.9285916 1.4028748 0.1451561 ] [ 3.0195192 1.1711639 2.5353427 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2668798e-10 -5.80977e-12 1.2747899e-10 ] [ 7.038783e-11 1.4064728e-10 3.1372006e-10 ] [ 5.759950000000001e-11 1.7323598e-10 -2.243571e-11 ] [ -9.782730000000001e-12 2.9465455e-10 1.6179951e-10 ] [ 2.9285916e-10 1.4028748e-10 1.451561e-11 ] [ 3.0195192e-10 1.1711639e-10 2.535342700000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.9e-05 -9.8e-06 2.14e-05 ] [ -1.38e-05 4.02e-05 -6.49e-05 ] [ 5.4e-06 3.92e-05 7.07e-05 ] [ -2.73e-05 -2.76e-05 -8.5e-06 ] [ -1.6e-06 -9.6e-06 -2.67e-05 ] [ 8.2e-06 -3.23e-05 8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.64631220032e-14 -1.570133088384e-14 3.428657968511999e-14 ] [ -2.211003736704e-14 6.440750015616e-14 -1.0398126268992e-13 ] [ 8.65175375232e-15 6.280532353535999e-14 1.1327388709056e-13 ] [ -4.373942174784e-14 -4.422007473408001e-14 -1.36185012768e-14 ] [ -2.56348259328e-15 -1.538089555968e-14 -4.277811577536e-14 ] [ 1.313784829056e-14 -5.175030485184e-14 1.28174129664e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.026204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.888116261057145e-18 } }