{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.0450939 -3.8590283 -1.5537493 ] [ 3.5213917 -0.0189782 -8.7087643 ] [ -1.7207834 6.1239302 0.5815389 ] [ 6.5303499 -4.6784185 3.0580653 ] [ 4.8884049 2.8014256 1.4658013 ] [ -0.2008009 2.0551016 7.6938128 ] [ -5.9734684 -2.4240325 -2.5367046 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.128748473792069e-08 -6.182844921265569e-09 -2.489380803044365e-09 ] [ 5.641891454419168e-09 -3.040642834486657e-11 -1.395297855751768e-08 ] [ -2.756998932940735e-09 9.811617793851068e-09 9.31728029665749e-10 ] [ 1.046277393542362e-08 -7.495652743018206e-09 4.899560728539738e-09 ] [ 7.832088043784162e-09 4.488378601230612e-09 2.348472573598248e-09 ] [ -3.217185074155987e-10 3.292635736888673e-09 1.232684699297178e-08 ] [ -9.570551415567583e-09 -3.883728199559376e-09 -4.064248803995816e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -38.72466 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.204374490042893e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4350954 1.8061316 1.5567983 ] [ 1.1698033 3.0694937 4.9348485 ] [ 2.0802457 1.4708736 3.7080768 ] [ 1.5262188 3.4025756 2.7781189 ] [ 4.1415263 1.7031449 2.9574205 ] [ 3.588573 3.6311031 2.0292645 ] [ 3.2359624 3.2993885 4.1814605 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4350954e-10 1.8061316e-10 1.5567983e-10 ] [ 1.1698033e-10 3.0694937e-10 4.9348485e-10 ] [ 2.0802457e-10 1.4708736e-10 3.7080768e-10 ] [ 1.5262188e-10 3.4025756e-10 2.7781189e-10 ] [ 4.1415263e-10 1.7031449e-10 2.9574205e-10 ] [ 3.588573e-10 3.6311031e-10 2.0292645e-10 ] [ 3.2359624e-10 3.2993885e-10 4.1814605e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 9.6e-06 3.14e-05 ] [ 1.38e-05 -1.91e-05 -1.37e-05 ] [ -1.69e-05 1.31e-05 -5.8e-06 ] [ -2.04e-05 -3.3e-06 -2.11e-05 ] [ 7.1e-06 -6.6e-06 4.7e-06 ] [ -6.2e-06 6e-07 2.56e-05 ] [ 2.55e-05 5.8e-06 -2.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.646312200320001e-15 1.538089555968e-14 5.030834589312e-14 ] [ 2.211003736704e-14 -3.060157345728e-14 -2.194981970496e-14 ] [ -2.707678489152e-14 2.098851373248e-14 -9.292624400640001e-15 ] [ -3.268440306432e-14 -5.28718284864e-15 -3.380592669888e-14 ] [ 1.137545400768e-14 -1.057436569728e-14 7.53023011776e-15 ] [ -9.93349504896e-15 9.6130597248e-16 4.101572149248001e-14 ] [ 4.08555038304e-14 9.292624400640001e-15 -3.348549137472e-14 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }