{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.09862 0.3102875 1.608695 ] [ 0.216089 2.435481 0.8089597 ] [ 1.587261 0.9923217 0.3598848 ] [ 2.442881 2.780277 0.9615339 ] [ 1.769015 1.574471 2.844855 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.862e-12 3.102875e-11 1.608695e-10 ] [ 2.16089e-11 2.435481e-10 8.089597e-11 ] [ 1.587261e-10 9.923217e-11 3.598848e-11 ] [ 2.442881e-10 2.780277e-10 9.615339e-11 ] [ 1.769015e-10 1.574471e-10 2.844855e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.6471721 -19.0848188 8.1630129 ] [ -30.8658987 25.3316181 -13.6490286 ] [ 13.6420318 -22.1954163 -31.1121985 ] [ 19.1993846 17.5686547 -1.6201202 ] [ 13.6716544 -1.6200376 38.2183345 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.506953332025404e-08 -3.057725049356432e-08 1.307858842366881e-08 ] [ -4.945262127712111e-08 4.058572628685412e-08 -2.186815451955056e-08 ] [ 2.185694441017014e-08 -3.556097708478325e-08 -4.984723705838884e-08 ] [ 3.076080513986755e-08 2.814808781924804e-08 -2.59571870732582e-09 ] [ 2.190440504733745e-08 -2.595586367536942e-09 6.123252202181405e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 23.737047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.803094175023078e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0866421 0.4247375 1.6521118 ] [ -0.2304803 2.8697342 0.847357 ] [ 2.0219399 0.4674175 -0.0738635 ] [ 2.358905 2.8123969 0.9814594 ] [ 1.8768593 1.5185522 3.1768638 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.66421e-12 4.247375e-11 1.6521118e-10 ] [ -2.304803e-11 2.8697342e-10 8.473570000000001e-11 ] [ 2.0219399e-10 4.674175e-11 -7.38635e-12 ] [ 2.358905e-10 2.8123969e-10 9.814594e-11 ] [ 1.8768593e-10 1.5185522e-10 3.1768638e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.87e-05 -6.6e-06 -2.5e-06 ] [ -7.3e-06 -5e-07 2.1e-06 ] [ 6.9e-06 -1.72e-05 -2.21e-05 ] [ 1.1e-05 1.5e-05 4e-06 ] [ 8e-06 9.2e-06 1.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.996070280896e-14 -1.057436569728e-14 -4.005441552e-15 ] [ -1.169588933184e-14 -8.010883104e-16 3.36457090368e-15 ] [ 1.105501868352e-14 -2.755743787776e-14 -3.540810331968e-14 ] [ 1.76239428288e-14 2.4032649312e-14 6.4087064832e-15 ] [ 1.28174129664e-14 1.474002491136e-14 2.96402674848e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5001568 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.522092911889414e-18 } }