{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 4.721056e-11 -2.031967e-11 1.3045063e-10 ] [ 1.7194953e-10 1.6050716e-10 1.1764856e-10 ] [ 2.9393053e-10 3.3942701e-10 1.5671523e-10 ] ] "source-value" [ [ 0.4721056 -0.2031967 1.3045063 ] [ 1.7194953 1.6050716 1.1764856 ] [ 2.9393053 3.3942701 1.5671523 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 7.615465913986561e-12 1.057260330299712e-11 -1.2300711006192e-11 ] [ -1.516588345716864e-11 -2.117004034361664e-11 2.166206878386432e-11 ] [ 7.55041754318208e-12 1.059743704061952e-11 -9.36135777767232e-12 ] ] "source-value" [ [ 0.0047532 0.0065989 -0.0076775 ] [ -0.0094658 -0.0132133 0.0135204 ] [ 0.0047126 0.0066144 -0.0058429 ] ] } "species" { "source-value" [ "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -9.05450634777411e-19 "source-value" -5.6513784 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -4.045770580592805e-09 -5.680527302759111e-09 4.964002034622597e-09 ] [ 1.149223505939349e-09 1.293020940485756e-09 -9.318126085695612e-09 ] [ 2.896547074653456e-09 4.387506362273354e-09 4.354123890855353e-09 ] ] "source-value" [ [ -2.5251714 -3.5455063 3.0982864 ] [ 0.7172889 0.8070402 -5.8159169 ] [ 1.8078825 2.7384661 2.7176304 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.791130681858122e-19 "source-value" -3.6145395 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 9.323072999999999e-11 4.84411e-11 1.762504e-10 ] [ 1.756656e-10 1.625279e-10 3.422502e-11 ] [ 2.441943e-10 2.686455e-10 1.94339e-10 ] ] "source-value" [ [ 0.9323073 0.484411 1.762504 ] [ 1.756656 1.625279 0.3422502 ] [ 2.441943 2.686455 1.94339 ] ] } "instance-id" 1 }