{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7988983 0.4673865 0.2218489 ] [ 0.3258309 0.1815657 2.151485 ] [ 0.290514 2.993692 1.621534 ] [ 2.152844 0.6900228 1.637351 ] [ 2.682916 2.279137 0.4360972 ] [ 1.831466 2.039249 2.911237 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.988983e-11 4.673865e-11 2.218489e-11 ] [ 3.258309e-11 1.815657e-11 2.151485e-10 ] [ 2.90514e-11 2.993692e-10 1.621534e-10 ] [ 2.152844e-10 6.900228e-11 1.637351e-10 ] [ 2.682916e-10 2.279137e-10 4.360972e-11 ] [ 1.831466e-10 2.039249e-10 2.911237e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.7417066 -0.9090155 -10.4660514 ] [ -9.8586878 -4.7686074 6.4353479 ] [ -1.9641817 2.4139302 -0.8249905 ] [ 13.9168153 -7.9893415 0.607899 ] [ 2.5456406 4.5752707 -4.5074304 ] [ 0.1021202 6.6777635 8.7552254 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.597051457213057e-09 -1.456403382044822e-09 -1.676846286517111e-08 ] [ -1.579535910492619e-08 -7.640151290053874e-09 1.031056395209438e-08 ] [ -3.146965998743199e-09 3.867542530683068e-09 -1.321780491482102e-09 ] [ 2.229719610965174e-08 -1.28003361668872e-08 9.73961565607699e-10 ] [ 4.078565854279284e-09 7.33039174937125e-09 -7.221699606763191e-09 ] [ 1.636145969514202e-10 1.069895655893158e-08 1.402741744571433e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.7937647 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.476104486356326e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1393678 1.046326 0.2010602 ] [ 0.6445491 -0.1199678 2.0969026 ] [ 0.7142384 3.1347398 1.3327161 ] [ 2.9350385 0.7276158 2.0080795 ] [ 2.4298543 1.8938979 0.1122245 ] [ 1.2194211 1.9684413 3.2285702 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.393678e-11 1.046326e-10 2.010602e-11 ] [ 6.445491e-11 -1.199678e-11 2.0969026e-10 ] [ 7.142384e-11 3.134739800000001e-10 1.3327161e-10 ] [ 2.9350385e-10 7.276158000000001e-11 2.0080795e-10 ] [ 2.4298543e-10 1.8938979e-10 1.122245e-11 ] [ 1.2194211e-10 1.9684413e-10 3.2285702e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-06 1.08e-05 -2.27e-05 ] [ 7.8e-06 -3.54e-05 3.96e-05 ] [ 1.73e-05 -1.66e-05 4.6e-05 ] [ -1.11e-05 -8.5e-06 -1.2e-05 ] [ 7.2e-06 1.36e-05 -1.6e-06 ] [ -1.9e-05 3.61e-05 -4.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.36457090368e-15 1.730350750464e-14 -3.636940929216e-14 ] [ 1.249697764224e-14 -5.671705237632e-14 6.344619418368e-14 ] [ 2.771765553984e-14 -2.659613190528e-14 7.37001245568e-14 ] [ -1.778416049088e-14 -1.36185012768e-14 -1.92261194496e-14 ] [ 1.153567166976e-14 2.178960204288e-14 -2.56348259328e-15 ] [ -3.04413557952e-14 5.783857601088001e-14 -7.898730740544e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }