{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.082752 2.058358 1.918508 ] [ 1.804708 3.969119 3.022657 ] [ 3.997636 1.573064 0.3548062 ] [ 3.986466 2.315414 3.180743 ] [ 3.658552 3.790773 1.50531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.082752e-10 2.058358e-10 1.918508e-10 ] [ 1.804708e-10 3.969119e-10 3.022657e-10 ] [ 3.997636e-10 1.573064e-10 3.548062000000001e-11 ] [ 3.986466e-10 2.315414e-10 3.180743e-10 ] [ 3.658552e-10 3.790773e-10 1.50531e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.5127117 -10.4687983 -2.870478 ] [ -8.130422 9.2191369 4.6818061 ] [ 1.0175108 -1.5662803 -4.2290518 ] [ 8.4223229 -6.0753022 9.4217434 ] [ 6.2033 8.891244 -7.0040197 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.203669114371842e-08 -1.677286402231892e-08 -4.599012780011051e-09 ] [ -1.302637215295955e-08 1.477068572682719e-08 7.501080338338668e-09 ] [ 1.630232028602647e-09 -2.50945769895451e-09 -6.77568797793564e-09 ] [ 1.349404895438312e-08 -9.733707229328794e-09 1.509529712702372e-08 ] [ 9.938782313692199e-09 1.42453433839927e-08 -1.122167670741569e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.6761492 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.094193619337792e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0996249 1.5354864 2.2824947 ] [ 1.5996219 4.077704 2.3299427 ] [ 3.4336566 2.0214726 0.1147078 ] [ 4.2847917 2.1248617 3.5445641 ] [ 4.112419 3.9472033 1.710315 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0996249e-10 1.5354864e-10 2.2824947e-10 ] [ 1.5996219e-10 4.077704e-10 2.3299427e-10 ] [ 3.4336566e-10 2.0214726e-10 1.147078e-11 ] [ 4.284791700000001e-10 2.1248617e-10 3.5445641e-10 ] [ 4.112419e-10 3.9472033e-10 1.710315e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.25e-05 -2.2e-05 1.13e-05 ] [ 2.3e-06 0.0 -8e-07 ] [ 1.4e-06 3.1e-06 1e-06 ] [ -7.6e-06 -4.4e-06 -2.1e-06 ] [ 1.63e-05 2.33e-05 -9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.0027207925e-14 -3.5247885948e-14 1.81045959642e-14 ] [ 3.685006258199999e-15 0.0 -1.2817413072e-15 ] [ 2.2430472876e-15 4.9667475654e-15 1.602176634e-15 ] [ -1.21765424184e-14 -7.0495771896e-15 -3.364570931399999e-15 ] [ 2.61154791342e-14 3.733071557219999e-14 -1.50604603596e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.588965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.177192220324381e-18 } }