{ "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" [ [ -0.771522 -2.5253752 -11.257004 ] [ 0.0 0.0 0.0 ] [ -8.3622037 -0.8355745 5.2285565 ] [ 1.6981851 -1.0534408 1.7119556 ] [ 8.101482 -11.0621376 10.9487225 ] [ 2.1765655 12.0725632 -8.9901451 ] [ -2.8425069 3.4039649 2.3579146 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.236114510832858e-09 -4.046097104188124e-09 -1.803570862905209e-08 ] [ 0.0 0.0 0.0 ] [ -1.339772726650726e-08 -1.33873792883665e-09 8.377070984831876e-09 ] [ 2.72079246501091e-09 -1.687798221156849e-09 2.742855238167637e-09 ] [ 1.298000505423203e-08 -1.772349823879262e-08 1.754178721712693e-08 ] [ 3.487242357739863e-09 1.934237851217043e-08 -1.440380029681968e-08 ] [ -4.554198099642684e-09 5.45375298080381e-09 3.777795645962983e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8300481 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.094294338475946e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8013919 3.0285061 -0.1142363 ] [ -0.1216219 4.1733056 5.2129521 ] [ 1.9519848 0.8483026 3.9935863 ] [ 0.2808672 2.2805084 4.1574852 ] [ 4.1193539 1.1980911 4.1558294 ] [ 4.1471919 3.8206211 1.4350281 ] [ 4.9982572 3.0333761 3.3053433 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8013919e-10 3.0285061e-10 -1.142363e-11 ] [ -1.216219e-11 4.1733056e-10 5.2129521e-10 ] [ 1.9519848e-10 8.483026e-11 3.9935863e-10 ] [ 2.808672e-11 2.2805084e-10 4.1574852e-10 ] [ 4.1193539e-10 1.1980911e-10 4.1558294e-10 ] [ 4.147191900000001e-10 3.8206211e-10 1.4350281e-10 ] [ 4.998257200000001e-10 3.0333761e-10 3.3053433e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.088804 0.12619 -0.2256081 ] [ -0.0770332 -0.4472483 -0.3293486 ] [ -0.7721419 0.3584552 0.1834722 ] [ 0.4636305 -0.051486 0.3578752 ] [ 0.286933 0.2562787 -0.0056973 ] [ 0.0769317 0.180484 -0.2124484 ] [ 0.1104839 -0.4226735 0.2317548 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.422796926335232e-10 2.02178667778752e-10 -3.614640232831085e-10 ] [ -1.234207920654105e-10 -7.165707699525446e-10 -5.276746270132109e-10 ] [ -1.237107700120092e-09 5.743085410441881e-10 2.939548694067418e-10 ] [ 7.428179477898144e-10 -8.24896654985088e-11 5.733792786041242e-10 ] [ 4.597173443360064e-10 4.106037415490171e-10 -9.12808086168384e-12 ] [ 1.232581711383994e-10 2.891672452284673e-10 -3.403798596063667e-10 ] [ 1.770147215548051e-10 -6.771975999317089e-10 3.713121223181798e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.783941 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.528866125428658e-18 } }