{ "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" [ [ 1.103512 1.466985 2.426499 ] [ 2.074865 2.595365 4.552024 ] [ 1.591542 3.438653 2.256813 ] [ 3.435088 2.328735 1.940231 ] [ 4.699457 2.544305 3.846061 ] [ 3.437343 0.6039955 3.482177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.103512e-10 1.466985e-10 2.426499e-10 ] [ 2.074865e-10 2.595365e-10 4.552024e-10 ] [ 1.591542e-10 3.438653e-10 2.256813e-10 ] [ 3.435088e-10 2.328735e-10 1.940231e-10 ] [ 4.699457e-10 2.544305e-10 3.846061e-10 ] [ 3.437343e-10 6.039955e-11 3.482177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.0054917 -1.8134235 -2.2974994 ] [ -0.6691743 2.8646517 5.8057189 ] [ 0.8036918 -3.5913757 0.830152 ] [ 5.8827321 5.471154 -9.4678263 ] [ 4.3890284 3.8747691 3.4795166 ] [ -1.4007863 -6.8057756 1.6499383 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.442838826054845e-08 -2.905424735309309e-09 -3.680999824982027e-09 ] [ -1.072135418700205e-09 4.589677980474976e-09 9.301787088516693e-09 ] [ 1.28765621228867e-09 -5.754018183049235e-09 1.330050126110362e-09 ] [ 9.425175837049687e-09 8.765755027596403e-09 -1.516912994765537e-08 ] [ 7.031998690507231e-09 6.208064463018257e-09 5.574800148205506e-09 ] [ -2.244307060596935e-09 -1.090405455273109e-08 2.643492570022496e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.7683075 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.24462006596853e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6704414 1.4245709 2.1643928 ] [ 2.5370555 2.4908334 4.7200882 ] [ 1.5910676 3.1239661 2.4364144 ] [ 3.9071929 2.2010056 1.8936275 ] [ 4.8964846 3.2942716 4.0212663 ] [ 2.739565 0.443391 3.2680158 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.704414e-11 1.4245709e-10 2.1643928e-10 ] [ 2.5370555e-10 2.4908334e-10 4.7200882e-10 ] [ 1.5910676e-10 3.1239661e-10 2.4364144e-10 ] [ 3.9071929e-10 2.2010056e-10 1.8936275e-10 ] [ 4.8964846e-10 3.2942716e-10 4.0212663e-10 ] [ 2.739565e-10 4.43391e-11 3.2680158e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.03e-05 5.17e-05 1.07e-05 ] [ 1.03e-05 -2.71e-05 -3.53e-05 ] [ -1e-06 -2.93e-05 1.07e-05 ] [ 1.03e-05 6.5e-06 1.22e-05 ] [ -5.1e-05 -8.7e-06 -2.66e-05 ] [ 1.1e-06 6.9e-06 2.84e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.854595161024e-14 8.283253129536002e-14 1.714328984256e-14 ] [ 1.650241919424e-14 -4.341898642368e-14 -5.655683471424e-14 ] [ -1.6021766208e-15 -4.694377498944e-14 1.714328984256e-14 ] [ 1.650241919424e-14 1.04141480352e-14 1.954655477376e-14 ] [ -8.17110076608e-14 -1.393893660096e-14 -4.261789811328e-14 ] [ 1.76239428288e-15 1.105501868352e-14 4.550181603071999e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.90988 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.38882611549335e-18 } }