{ "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" [ [ 2.019678 3.528357 2.55152 ] [ 4.681874 1.030316 1.978031 ] [ 3.876194 2.698932 0.9098523 ] [ 3.736168 1.84025 3.911189 ] [ 5.498325 3.105138 2.775129 ] [ 3.884183 4.867643 2.227305 ] [ 3.327521 4.019973 4.190113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.019678e-10 3.528357e-10 2.55152e-10 ] [ 4.681874e-10 1.030316e-10 1.978031e-10 ] [ 3.876194e-10 2.698932e-10 9.098523e-11 ] [ 3.736168e-10 1.84025e-10 3.911189e-10 ] [ 5.498325e-10 3.105138e-10 2.775129000000001e-10 ] [ 3.884183e-10 4.867643e-10 2.227305e-10 ] [ 3.327521e-10 4.019973e-10 4.190113e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.0050839 -2.0279089 -4.1951601 ] [ 1.5108611 -7.938683 -1.5644198 ] [ -3.568631 1.1324588 -11.2210993 ] [ -1.9068504 -7.4934493 8.7125642 ] [ 11.6998844 3.3443578 1.5857316 ] [ 3.5880445 8.7861284 -4.5298026 ] [ -1.3182247 4.1970962 11.212186 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.602991151372248e-08 -3.249068228692245e-09 -6.72138743273299e-09 ] [ 2.420666331696171e-09 -1.271917230254241e-08 -2.506476828676612e-09 ] [ -5.717577156462125e-09 1.814399013379223e-09 -1.797818295813525e-08 ] [ -3.055111130243128e-09 -1.200582927761013e-08 1.395906666845905e-08 ] [ 1.874528125174264e-08 5.358251878750122e-09 2.540622096383777e-09 ] [ 5.748681012290026e-09 1.407692950982691e-08 -7.257543822559055e-09 ] [ -2.112028795301094e-09 6.724489406888521e-09 1.796390227726107e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.953945 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.274362472212906e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5688101 2.8535012 2.4942438 ] [ 4.7791555 1.417964 2.1634035 ] [ 3.3948639 3.0217711 0.9406288 ] [ 3.2925949 1.6425918 4.0299269 ] [ 6.3373098 3.1911827 2.5764245 ] [ 4.5421992 4.7437924 2.2451887 ] [ 3.1090095 4.2198058 4.093323 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5688101e-10 2.8535012e-10 2.4942438e-10 ] [ 4.7791555e-10 1.417964e-10 2.1634035e-10 ] [ 3.3948639e-10 3.0217711e-10 9.406288e-11 ] [ 3.2925949e-10 1.6425918e-10 4.029926900000001e-10 ] [ 6.3373098e-10 3.1911827e-10 2.5764245e-10 ] [ 4.5421992e-10 4.7437924e-10 2.2451887e-10 ] [ 3.1090095e-10 4.2198058e-10 4.093323e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.62e-05 -1.14e-05 1.65e-05 ] [ -4.11e-05 -2.17e-05 3.5e-06 ] [ 1.17e-05 1.01e-05 2.26e-05 ] [ 3.31e-05 1.28e-05 -1.6e-05 ] [ -2.56e-05 -1.9e-06 1.26e-05 ] [ 2.53e-05 3.68e-05 -1.26e-05 ] [ -1.96e-05 -2.47e-05 -2.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.595526125696e-14 -1.826481347712e-14 2.64359142432e-14 ] [ -6.584945911488e-14 -3.476723267136e-14 5.6076181728e-15 ] [ 1.874546646336e-14 1.618198387008e-14 3.620919163008e-14 ] [ 5.303204614848e-14 2.050786074624e-14 -2.56348259328e-14 ] [ -4.101572149248001e-14 -3.04413557952e-15 2.018742542208e-14 ] [ 4.053506850624e-14 5.896009964544001e-14 -2.018742542208e-14 ] [ -3.140266176767999e-14 -3.957376253376001e-14 -4.261789811328e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }