{ "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" [ [ 2.717363 2.851349 1.457488 ] [ 0.2108152 2.748454 1.624055 ] [ 2.409053 4.258926 3.949315 ] [ 4.77033 2.580775 2.438947 ] [ 3.623649 2.286945 4.240246 ] [ 4.139768 4.74377 1.918983 ] [ 5.145543 4.155434 3.91724 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.717363e-10 2.851349e-10 1.457488e-10 ] [ 2.108152e-11 2.748454e-10 1.624055e-10 ] [ 2.409053e-10 4.258926e-10 3.949315e-10 ] [ 4.770330000000001e-10 2.580775e-10 2.438947e-10 ] [ 3.623649e-10 2.286945e-10 4.240246e-10 ] [ 4.139768e-10 4.743769999999999e-10 1.918983e-10 ] [ 5.145543e-10 4.155434e-10 3.91724e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.0467357 0.9880943 0.7719328 ] [ 0.0 0.0 0.0 ] [ 4.8854384 -8.2923177 1.479404 ] [ 0.1785462 -6.4997617 -4.5819078 ] [ -9.3929698 4.3780684 2.2838559 ] [ -1.9619747 3.4011589 -0.9589101 ] [ 3.2442241 6.0247579 1.0056252 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.881408708296723e-09 1.583101586605741e-09 1.236772684988682e-09 ] [ 0.0 0.0 0.0 ] [ 7.82733518683856e-09 -1.328575755118603e-08 2.370266501518003e-09 ] [ 2.860625473726809e-10 -1.041376623651126e-08 -7.341025555821162e-09 ] [ -1.504919661344045e-08 7.014438834743263e-09 3.659140528256143e-09 ] [ -3.143429994941094e-09 5.449257273205845e-09 -1.53634334366899e-09 ] [ 5.197820005655921e-09 9.652726253360105e-09 1.611189184727324e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.746377 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.080888750450284e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.8699681 2.9902029 0.7587133 ] [ 0.2108152 2.748454 1.624055 ] [ 2.5510318 3.9730228 5.1192475 ] [ 3.7769966 1.3450854 2.229157 ] [ 3.4465044 2.1585687 4.2457673 ] [ 4.1437637 4.9054935 1.8206684 ] [ 5.0174414 5.5048257 3.7486655 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.8699681e-10 2.9902029e-10 7.587133000000001e-11 ] [ 2.108152e-11 2.748454e-10 1.624055e-10 ] [ 2.5510318e-10 3.9730228e-10 5.1192475e-10 ] [ 3.7769966e-10 1.3450854e-10 2.229157e-10 ] [ 3.4465044e-10 2.1585687e-10 4.2457673e-10 ] [ 4.1437637e-10 4.9054935e-10 1.8206684e-10 ] [ 5.0174414e-10 5.5048257e-10 3.7486655e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0692827 0.097804 0.3370191 ] [ 0.0 0.0 0.0 ] [ 0.2311681 -0.4499375 -0.0079418 ] [ 0.0444462 0.0049091 -0.6892289 ] [ -0.4124307 0.3842816 0.7470799 ] [ 0.0495265 -0.2855481 -0.489239 ] [ 0.0180072 0.2484908 0.1023107 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.110031221659002e-10 1.566992822207232e-10 5.399641227830574e-10 ] [ 0.0 0.0 0.0 ] [ 3.703721252947564e-10 -7.208793433212e-10 -1.272416628706944e-11 ] [ 7.121066252340096e-11 7.865245249169279e-12 -1.104266429959701e-09 ] [ -6.607868252401785e-10 6.156869953236173e-10 1.196953949649602e-09 ] [ 7.93502004100512e-11 -4.574984899338605e-10 -7.838472877835712e-10 ] [ 2.885071484606976e-11 3.981261502438887e-10 1.639198115976825e-10 ] ] } "relaxed-potential-energy" { "source-value" -12.8397 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.057146715808576e-18 } }