{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.0059559 -4.2117547 -5.1588098 ] [ -4.5002142 -3.2619999 2.0509091 ] [ 1.7322965 3.5303063 2.5273561 ] [ -3.6984814 5.0775163 3.1945516 ] [ -0.2219599 -0.8195338 -0.9159966 ] [ 4.8272606 -0.9145679 -1.6684966 ] [ -1.1448574 0.6000336 -0.0295138 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.81607230581444e-09 -6.747974968479679e-09 -8.265324520810212e-09 ] [ -7.210138039235002e-09 -5.226300019890336e-09 3.285918638477969e-09 ] [ 2.775444975459981e-09 5.656174264722994e-09 4.049270889217366e-09 ] [ -5.925620480363607e-09 8.135077974614133e-09 5.118235929627314e-09 ] [ -3.556189654649765e-10 -1.313037905133229e-09 -1.467588349343444e-09 ] [ 7.73412413954882e-09 -1.465299319586449e-09 -2.673226266428444e-09 ] [ -1.834263775541991e-09 9.613598135349022e-10 -4.72863207405492e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -18.146936 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.907459683789342e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4695198 0.8943389 2.1034088 ] [ 1.1109709 1.2497922 4.1771863 ] [ 2.0687744 3.0941241 5.5082828 ] [ 2.2148583 3.2665239 3.0426471 ] [ 4.7601442 0.1135324 2.6266495 ] [ 4.4484015 2.5221616 2.1883974 ] [ 3.6548158 1.4969696 4.402484 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4695198e-10 8.943389e-11 2.1034088e-10 ] [ 1.1109709e-10 1.2497922e-10 4.1771863e-10 ] [ 2.0687744e-10 3.0941241e-10 5.5082828e-10 ] [ 2.2148583e-10 3.2665239e-10 3.0426471e-10 ] [ 4.7601442e-10 1.135324e-11 2.6266495e-10 ] [ 4.4484015e-10 2.5221616e-10 2.1883974e-10 ] [ 3.6548158e-10 1.4969696e-10 4.402484000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.92e-05 -1.86e-05 -6.41e-05 ] [ 6.35e-05 -5.5e-06 2.44e-05 ] [ -3.03e-05 -1.17e-05 -1.93e-05 ] [ 2.47e-05 2.63e-05 3.59e-05 ] [ 9.4e-06 -3.3e-06 1.58e-05 ] [ 1.7e-06 -1.95e-05 9e-07 ] [ -1.98e-05 3.25e-05 6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.882709039280001e-14 -2.98004853924e-14 -1.026995222394e-13 ] [ 1.01738216259e-13 -8.811971486999999e-15 3.909310986959999e-14 ] [ -4.854595201019999e-14 -1.87454666178e-14 -3.09220090362e-14 ] [ 3.95737628598e-14 4.21372454742e-14 5.751814116059999e-14 ] [ 1.50604603596e-14 -5.2871828922e-15 2.53143908172e-14 ] [ 2.7237002778e-15 -3.1242444363e-14 1.4419589706e-15 ] [ -3.17230973532e-14 5.207074060499999e-14 1.0414148121e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.591051 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.459267741570233e-18 } }