{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0348368 -1.0361266 -3.5872593 ] [ -2.5972466 -4.2302656 -1.8115642 ] [ -7.7457463 -0.3129443 5.6886273 ] [ -10.6983143 9.148921 -3.7756987 ] [ 5.8291926 -7.9142218 8.8166429 ] [ 9.6478693 -4.1869283 -10.944389 ] [ 6.5990822 8.5315655 5.6136409 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.657991327303485e-09 -1.660057814708993e-09 -5.747422983207373e-09 ] [ -4.16124778097229e-09 -6.777632644094485e-09 -2.902445808318256e-09 ] [ -1.24100536325081e-08 -5.013920410726215e-10 9.114185664504627e-09 ] [ -1.714058905343032e-08 1.465818733174616e-08 -6.049336184324953e-09 ] [ 9.339396101860366e-09 -1.267998113978569e-08 1.412581912832231e-08 ] [ 1.545759063299406e-08 -6.708198635225888e-09 -1.753484418474069e-08 ] [ 1.057289521957743e-08 1.366907478292386e-08 8.99404420754667e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.3238773 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.723261879667828e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0828293 3.046242 1.1582259 ] [ 0.9739179 1.3772269 2.4634781 ] [ 1.3420775 2.7379748 4.395261 ] [ 1.5226038 4.6819722 2.903758 ] [ 3.7247276 2.6824709 4.5431201 ] [ 4.2964203 2.9204351 2.0448789 ] [ 3.8080115 5.1241911 3.4688712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0828293e-10 3.046242e-10 1.1582259e-10 ] [ 9.739179e-11 1.3772269e-10 2.4634781e-10 ] [ 1.3420775e-10 2.7379748e-10 4.395261e-10 ] [ 1.5226038e-10 4.6819722e-10 2.903758e-10 ] [ 3.7247276e-10 2.6824709e-10 4.543120100000001e-10 ] [ 4.2964203e-10 2.9204351e-10 2.0448789e-10 ] [ 3.8080115e-10 5.1241911e-10 3.4688712e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.4e-06 2.56e-05 -1.02e-05 ] [ -1.42e-05 -6.01e-05 -2.33e-05 ] [ -3e-07 -1.76e-05 3.28e-05 ] [ -5e-07 6.4e-05 9.1e-06 ] [ -4e-06 4.4e-06 2.99e-05 ] [ 2.1e-05 -2.94e-05 -1.92e-05 ] [ -6.4e-06 1.31e-05 -1.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.04957713152e-15 4.101572149248001e-14 -1.634220153216e-14 ] [ -2.275090801536e-14 -9.629081491008e-14 -3.733071526464e-14 ] [ -4.8065298624e-16 -2.819830852608e-14 5.255139316223999e-14 ] [ -8.010883104e-16 1.025393037312e-13 1.457980724928e-14 ] [ -6.4087064832e-15 7.04957713152e-15 4.790508096192e-14 ] [ 3.36457090368e-14 -4.710399265152e-14 -3.076179111936e-14 ] [ -1.025393037312e-14 2.098851373248e-14 -3.060157345728e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.819793 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.89373960072955e-18 } }