{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7743124 -2.0291338 1.3713051 ] [ 0.3633649 -6.8547262 0.2210721 ] [ 0.3953955 3.9739039 -5.0476369 ] [ 0.0 0.0 0.0 ] [ 13.3635268 -1.7504536 8.4474698 ] [ -6.519459 3.5730738 -11.4447755 ] [ -3.8285158 3.0873358 6.4525654 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.047115086875539e-09 -3.251030734835063e-09 2.197072971203806e-09 ] [ 5.821747475993299e-10 -1.098248205962523e-08 3.541965501311597e-10 ] [ 6.334934260695264e-10 6.366895921885942e-09 -8.087205831467387e-09 ] [ 0.0 0.0 0.0 ] [ 2.141073021039424e-08 -2.804535833715195e-09 1.353433861847405e-08 ] [ -1.044532479006415e-08 5.724695306753015e-09 -1.833655173640463e-08 ] [ -6.133958507123409e-09 4.946457239318865e-09 1.0338149428063e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.0958478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.766624829115113e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0035333 3.1730408 3.8722737 ] [ 5.5415119 2.6564911 0.8118136 ] [ 6.4371563 2.2206775 4.7982616 ] [ 3.250182 0.9950144 3.979579 ] [ 6.5215105 1.8831132 2.6253327 ] [ 3.6034519 3.6805916 0.6254133 ] [ 1.9145901 3.9293738 2.0166942 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0035333e-10 3.1730408e-10 3.8722737e-10 ] [ 5.5415119e-10 2.6564911e-10 8.118136000000001e-11 ] [ 6.4371563e-10 2.2206775e-10 4.7982616e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 6.5215105e-10 1.8831132e-10 2.6253327e-10 ] [ 3.6034519e-10 3.6805916e-10 6.254133e-11 ] [ 1.9145901e-10 3.9293738e-10 2.0166942e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0534613 0.1071409 -0.0791356 ] [ 0.2113107 -0.1260716 0.0268335 ] [ 0.1263043 -0.1187162 0.0700795 ] [ 0.0 0.0 0.0 ] [ 0.06971 0.0833203 8.61e-05 ] [ -0.3277385 0.1198741 0.0054277 ] [ -0.0261251 -0.0655476 -0.0232912 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.565444497757505e-11 1.716586451114707e-10 -1.267892081929805e-10 ] [ 3.385570632648826e-10 -2.019889700668493e-10 4.29920063542368e-11 ] [ 2.023617965665094e-10 -1.90204320150217e-10 1.122797364973536e-10 ] [ 0.0 0.0 0.0 ] [ 1.11687732235968e-10 1.334938366980422e-10 1.3794740705088e-13 ] [ -5.250949624360608e-10 1.920594804594413e-10 8.69613404471616e-12 ] [ -4.185702443606208e-11 -1.050188322695501e-10 -3.731661611037697e-11 ] ] } "relaxed-potential-energy" { "source-value" -13.542196 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.169698982549128e-18 } }