{ "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" [ [ -3.7743107 -2.0291324 1.371306 ] [ 0.3633644 -6.854724 0.2210715 ] [ 0.3953955 3.9739039 -5.047637 ] [ 0.0 0.0 0.0 ] [ 13.3635269 -1.7504542 8.4474698 ] [ -6.5194583 3.5730725 -11.4447735 ] [ -3.8285178 3.0873342 6.4525632 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.047112363175283e-09 -3.251028491787794e-09 2.197074413162765e-09 ] [ 5.821739465110195e-10 -1.098247853483666e-08 3.541955888251872e-10 ] [ 6.334934260695264e-10 6.366895921885942e-09 -8.087205991685049e-09 ] [ 0.0 0.0 0.0 ] [ 2.14107303706119e-08 -2.804536795021167e-09 1.353433861847405e-08 ] [ -1.044532366854051e-08 5.724693223923407e-09 -1.833654853205139e-08 ] [ -6.133961711476651e-09 4.946454675836271e-09 1.033814590327444e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.0958483 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.766625630203426e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1322985 2.9334993 3.8023596 ] [ 5.4552728 2.4747476 0.7142829 ] [ 6.1954556 2.4266861 4.7567614 ] [ 3.250182 0.9950144 3.979579 ] [ 6.3910111 1.9063983 2.628727 ] [ 3.6591063 3.7461155 0.6194484 ] [ 2.1886096 4.0558412 2.2282097 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1322985e-10 2.9334993e-10 3.8023596e-10 ] [ 5.455272800000001e-10 2.4747476e-10 7.142829000000001e-11 ] [ 6.1954556e-10 2.4266861e-10 4.7567614e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 6.391011100000001e-10 1.9063983e-10 2.628727e-10 ] [ 3.6591063e-10 3.7461155e-10 6.194484e-11 ] [ 2.1886096e-10 4.0558412e-10 2.2282097e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1003039 0.3124649 -0.2135506 ] [ 0.2162527 -0.0185236 0.4224875 ] [ 0.1193213 -0.0814554 0.1875665 ] [ 0.0 0.0 0.0 ] [ -0.0876708 0.0754545 -0.5285799 ] [ 0.0430516 -0.0502655 -0.0735169 ] [ -0.3912588 -0.2376749 0.2055934 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.607045635550611e-10 5.0062395760061e-10 -3.421457786778125e-10 ] [ 3.464750201248761e-10 -2.967807885305088e-11 6.768995950802401e-10 ] [ 1.911737972234631e-10 -1.305059375179123e-10 3.005146611452832e-10 ] [ 0.0 0.0 0.0 ] [ -1.404641060868326e-10 1.208914358341536e-10 -8.468783580048019e-10 ] [ 6.897626700803328e-11 -8.053420893282239e-11 -1.177870584136915e-10 ] [ -6.26865702042263e-10 -3.807971681309779e-10 3.293969388707827e-10 ] ] } "relaxed-potential-energy" { "source-value" -13.37305 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.142598805878944e-18 } }