{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2772125 1.8732595 1.3259177 ] [ -1.2705826 0.2154378 1.6965695 ] [ -0.0003391 -2.9248623 -0.7783 ] [ -1.3628715 1.4326752 -0.3870001 ] [ 1.3703117 -0.1275495 -1.6813946 ] [ 3.0470613 0.8733096 -0.0825885 ] [ 0.4936326 -1.3422703 -0.093204 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.64849662809352e-09 3.001292575591497e-09 2.124354340044908e-09 ] [ -2.035697736515278e-09 3.451694063965863e-10 2.718203988462346e-09 ] [ -5.432980921132801e-13 -4.686145996119316e-09 -1.24697406396864e-09 ] [ -2.183560854454627e-09 2.295398710639964e-09 -6.200425124672621e-10 ] [ 2.195481368948703e-09 -2.043568268947296e-10 -2.693891118459368e-09 ] [ 4.881930377004456e-09 1.3991962238402e-09 -1.323213638469408e-10 ] [ 7.90886610984718e-10 -2.150554093454202e-09 -1.493292697650432e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -28.478325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.562730651454417e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8587074 5.2167626 2.9077261 ] [ 5.5793798 3.1606255 1.5295866 ] [ 3.244252 2.8230071 2.331798 ] [ 5.3054019 2.5911459 3.7132196 ] [ 4.0672635 4.7833755 1.0317741 ] [ 5.3296168 5.022504 3.1671029 ] [ 3.6239187 3.8618894 4.5649477 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8587074e-10 5.2167626e-10 2.9077261e-10 ] [ 5.5793798e-10 3.1606255e-10 1.5295866e-10 ] [ 3.244252e-10 2.8230071e-10 2.331798e-10 ] [ 5.3054019e-10 2.5911459e-10 3.7132196e-10 ] [ 4.0672635e-10 4.7833755e-10 1.0317741e-10 ] [ 5.3296168e-10 5.022504e-10 3.1671029e-10 ] [ 3.6239187e-10 3.8618894e-10 4.5649477e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.19e-05 -1.06e-05 -3.51e-05 ] [ -1.01e-05 2.96e-05 4.4e-06 ] [ -1.73e-05 1.81e-05 -1.98e-05 ] [ 2.8e-06 -4.53e-05 -1.09e-05 ] [ -1.84e-05 -5.19e-05 2.58e-05 ] [ 3.91e-05 6.22e-05 1.27e-05 ] [ -8e-06 -2.1e-06 2.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.906590178752e-14 -1.698307218048e-14 -5.623639939008e-14 ] [ -1.618198387008e-14 4.742442797568e-14 7.04957713152e-15 ] [ -2.771765553984e-14 2.899939683648e-14 -3.172309709184e-14 ] [ 4.48609453824e-15 -7.257860092224001e-14 -1.746372516672e-14 ] [ -2.948004982272e-14 -8.315296661952001e-14 4.133615681664e-14 ] [ 6.264510587328001e-14 9.965538581376e-14 2.034764308416e-14 ] [ -1.28174129664e-14 -3.36457090368e-15 3.68500622784e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.185082 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.836183267733091e-18 } }