{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.0933393 -2.9357257 -3.0909926 ] [ 0.923816 -1.0828698 5.9356822 ] [ -5.0765193 2.9003865 -1.4126368 ] [ 0.4192091 -2.2805035 -0.885999 ] [ 2.0473215 -0.8706637 1.3413497 ] [ 2.4183527 0.1709085 -5.3150835 ] [ 3.3611594 4.0984677 3.4276801 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.558252581493916e-09 -4.703551120373293e-09 -4.952316119586907e-09 ] [ 1.480116409315344e-09 -1.734948691224253e-09 9.510011327689713e-09 ] [ -8.133480604510035e-09 4.646931479869041e-09 -2.263293673288531e-09 ] [ 6.716470247801693e-10 -3.653769421455219e-09 -1.419526895547366e-09 ] [ 3.28017066958583e-09 -1.394957036211986e-09 2.14907914736291e-09 ] [ 3.874628188710812e-09 2.738256052519889e-10 -8.515702591458938e-09 ] [ 5.385171053829459e-09 6.566469184143721e-09 5.491748965046782e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.19577806491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.274414391705877e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2705518 2.1376908 2.1224666 ] [ 2.6555775 2.3954834 4.2483238 ] [ 2.0536935 4.3013115 2.7285839 ] [ 3.4921003 1.2626519 1.9699657 ] [ 5.0428169 2.9288105 3.7067811 ] [ 4.0256362 3.5977031 1.4022725 ] [ 4.1772128 5.1340607 3.3847814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2705518e-10 2.1376908e-10 2.1224666e-10 ] [ 2.6555775e-10 2.3954834e-10 4.2483238e-10 ] [ 2.0536935e-10 4.3013115e-10 2.7285839e-10 ] [ 3.4921003e-10 1.2626519e-10 1.9699657e-10 ] [ 5.0428169e-10 2.9288105e-10 3.7067811e-10 ] [ 4.025636200000001e-10 3.5977031e-10 1.4022725e-10 ] [ 4.1772128e-10 5.134060700000001e-10 3.3847814e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.4e-06 2.7e-06 2.15e-05 ] [ -5.45e-05 3.68e-05 3.07e-05 ] [ 2.47e-05 6e-07 1.15e-05 ] [ 4.27e-05 -2.71e-05 -4.6e-06 ] [ 6.8e-06 -3.58e-05 -2.05e-05 ] [ 5.1e-06 4.47e-05 -3.96e-05 ] [ -3.32e-05 -2.19e-05 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.34582837256e-14 4.3258769118e-15 3.4446797631e-14 ] [ -8.7318626553e-14 5.896010013119999e-14 4.91868226638e-14 ] [ 3.95737628598e-14 9.613059803999998e-16 1.8425031291e-14 ] [ 6.84129422718e-14 -4.34189867814e-14 -7.370012516399999e-15 ] [ 1.08948011112e-14 -5.735792349719999e-14 -3.2844620997e-14 ] [ 8.1711008334e-15 7.16172955398e-14 -6.34461947064e-14 ] [ -5.31922642488e-14 -3.50876682846e-14 1.7623942974e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.14226006491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.906710516396036e-18 } }