{ "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" [ [ -6.7478819 -7.2251088 -8.7395477 ] [ -2.0039208 -3.0613485 17.6796786 ] [ -12.986477 8.6119855 -4.3276753 ] [ 0.5695387 -4.1858596 -5.4175881 ] [ 9.0448423 -3.4866466 4.0950301 ] [ 3.1672656 -0.4422396 -6.1244259 ] [ 8.956633 9.7892175 2.8345285 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.081129862009948e-08 -1.157590040209634e-08 -1.400229900130641e-08 ] [ -3.210635055694833e-09 -4.904820994821149e-09 2.832596771617807e-08 ] [ -2.080662983595693e-08 1.37979218267686e-08 -6.933700188073626e-09 ] [ 9.125015897808249e-10 -6.706486389071239e-09 -8.679932994944293e-09 ] [ 1.44914348718829e-08 -5.586223667511809e-09 6.560961487692285e-09 ] [ 5.074518896184085e-09 -7.085459479119437e-10 -9.812411992802e-09 ] [ 1.435010799368577e-08 1.568405541442622e-08 4.541415293691293e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.8817488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.583230689997846e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4517762 1.8187058 2.429685 ] [ 2.3656971 2.6151427 4.6215821 ] [ 2.0524118 4.3102926 2.7041516 ] [ 3.6859621 1.3632989 1.6197499 ] [ 4.623939 2.6621658 3.62435 ] [ 4.1552742 3.7912837 1.2090267 ] [ 4.3825287 5.1968225 3.3546297 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4517762e-10 1.8187058e-10 2.429685e-10 ] [ 2.3656971e-10 2.6151427e-10 4.621582100000001e-10 ] [ 2.0524118e-10 4.310292600000001e-10 2.7041516e-10 ] [ 3.6859621e-10 1.3632989e-10 1.6197499e-10 ] [ 4.623939e-10 2.6621658e-10 3.624350000000001e-10 ] [ 4.1552742e-10 3.7912837e-10 1.2090267e-10 ] [ 4.3825287e-10 5.1968225e-10 3.3546297e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.08e-05 -8.7e-06 -1.08e-05 ] [ 6.3e-06 1.92e-05 2.96e-05 ] [ -2.61e-05 1e-05 -6.3e-06 ] [ 1.32e-05 3.3e-06 -4.7e-06 ] [ 6.5e-06 -9.3e-06 -1.32e-05 ] [ 1.18e-05 -3.9e-06 -6.2e-06 ] [ -9e-07 -1.06e-05 1.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.730350750464e-14 -1.393893660096e-14 -1.730350750464e-14 ] [ 1.009371271104e-14 3.076179111936e-14 4.742442797568e-14 ] [ -4.181680980288e-14 1.6021766208e-14 -1.009371271104e-14 ] [ 2.114873139456e-14 5.28718284864e-15 -7.53023011776e-15 ] [ 1.04141480352e-14 -1.490024257344e-14 -2.114873139456e-14 ] [ 1.890568412544e-14 -6.24848882112e-15 -9.93349504896e-15 ] [ -1.44195895872e-15 -1.698307218048e-14 1.874546646336e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.988725 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.721893801220048e-18 } }