{ "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" [ [ -5.5777979 -6.503085 -4.3115937 ] [ -1.7246446 -3.3688359 12.2379861 ] [ -10.6044221 9.8139987 -4.2253483 ] [ 0.3534841 -3.9954879 -3.8972848 ] [ 9.1049106 -5.5489326 5.9688971 ] [ 3.0168043 1.0656692 -9.8515423 ] [ 5.4316657 8.5366734 4.0788859 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.936617390927337e-09 -1.041909075007517e-08 -6.90793462452857e-09 ] [ -2.763185257308967e-09 -5.397470118291727e-09 1.960741521509537e-08 ] [ -1.699015716571484e-08 1.57237592737016e-08 -6.769754260997025e-09 ] [ 5.663439608445294e-10 -6.401477302069288e-09 -6.244138591159204e-09 ] [ 1.45876748977941e-08 -8.890370082114957e-09 9.56322738558092e-09 ] [ 4.833453318988909e-09 1.707390277746639e-09 -1.578391075188226e-08 ] [ 8.702487796541266e-09 1.367725854088525e-08 6.535095627890768e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.2530397 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.416297395474247e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6559745 2.354926 2.69806 ] [ 2.5455903 2.1022555 4.8046536 ] [ 2.3063722 4.5286089 2.1292446 ] [ 3.8656729 1.7509065 1.8588653 ] [ 4.6046215 2.6032035 3.9080145 ] [ 3.7273258 3.6397821 0.5527285 ] [ 4.0120318 4.7780297 3.6116083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6559745e-10 2.354926e-10 2.69806e-10 ] [ 2.5455903e-10 2.1022555e-10 4.8046536e-10 ] [ 2.3063722e-10 4.5286089e-10 2.1292446e-10 ] [ 3.8656729e-10 1.7509065e-10 1.8588653e-10 ] [ 4.6046215e-10 2.6032035e-10 3.9080145e-10 ] [ 3.7273258e-10 3.6397821e-10 5.527285e-11 ] [ 4.0120318e-10 4.7780297e-10 3.6116083e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.15e-05 -1.06e-05 -1.87e-05 ] [ -1.84e-05 2.15e-05 1.28e-05 ] [ -1.47e-05 1.59e-05 1.57e-05 ] [ 2.3e-05 -1.92e-05 -1.71e-05 ] [ 3.33e-05 -2.6e-06 3.9e-06 ] [ -4.2e-06 -1e-07 4.8e-06 ] [ 2.4e-06 -4.8e-06 -1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.44467973472e-14 -1.698307218048e-14 -2.996070280896e-14 ] [ -2.948004982272e-14 3.44467973472e-14 2.050786074624e-14 ] [ -2.355199632576e-14 2.547460827072e-14 2.515417294656e-14 ] [ 3.68500622784e-14 -3.076179111936e-14 -2.739722021568e-14 ] [ 5.335248147264001e-14 -4.16565921408e-15 6.24848882112e-15 ] [ -6.72914180736e-15 -1.6021766208e-16 7.69044777984e-15 ] [ 3.84522388992e-15 -7.69044777984e-15 -2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }