{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4274107 1.04679 0.754155 ] [ 0.054848 0.4363706 2.670546 ] [ 0.7705138 1.600976 2.469626 ] [ 2.416605 0.1528458 1.19099 ] [ 2.213379 0.2126116 2.884964 ] [ 2.109765 2.603732 2.132719 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.274107e-11 1.04679e-10 7.541550000000001e-11 ] [ 5.4848e-12 4.363706e-11 2.670546e-10 ] [ 7.705138e-11 1.600976e-10 2.469626e-10 ] [ 2.416605e-10 1.528458e-11 1.19099e-10 ] [ 2.213379e-10 2.126116e-11 2.884964e-10 ] [ 2.109765e-10 2.603732e-10 2.132719e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.358412 3.3723963 -33.344712 ] [ 72.898964 153.1966204 -11.1611387 ] [ -110.1352189 -140.6622414 38.1356283 ] [ 23.6309926 -18.369319 -6.8318885 ] [ 27.0269503 -21.4934777 9.6711043 ] [ 5.9367239 23.9560214 3.5310066 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.101559512221417e-08 5.403174507932423e-09 -5.342411799370921e-08 ] [ 1.167970158013409e-07 2.454480435904524e-07 -1.788211548664611e-08 ] [ -1.764560728482703e-07 -2.253657546004058e-07 6.110001208177885e-08 ] [ 3.78610238700178e-08 -2.943089344181724e-08 -1.094589203061238e-08 ] [ 4.330194790218355e-08 -3.443634747062616e-08 1.549481720677835e-08 ] [ 9.511680236724596e-09 3.838177741446449e-08 5.657296222410497e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 332.96257 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.334648452554835e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.3625484 1.0580714 0.6422708 ] [ 0.3497025 1.0392992 2.615494 ] [ 0.3497025 1.0392992 2.615494 ] [ 2.4958445 0.0912976 1.1679309 ] [ 2.3040472 0.1405598 2.9175196 ] [ 2.1306766 2.6847988 2.1442907 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.625484e-11 1.0580714e-10 6.422708e-11 ] [ 3.497025000000001e-11 1.0392992e-10 2.615494e-10 ] [ 3.497025000000001e-11 1.0392992e-10 2.615494e-10 ] [ 2.4958445e-10 9.12976e-12 1.1679309e-10 ] [ 2.3040472e-10 1.405598e-11 2.9175196e-10 ] [ 2.1306766e-10 2.6847988e-10 2.1442907e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -16.65083 2.1532282 -36.8363153 ] [ -2.3151829064726569e+117 1.2516952 17.4242878 ] [ 2.3151829064726569e+117 1.2516952 17.4242878 ] [ 22.056286 -15.8552043 -12.3135417 ] [ 26.6857751 -19.7753674 14.298814 ] [ 16.8469144 30.9739532 0.0024673 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.667757054291526e-08 3.449851881287266e-09 -5.901828317007734e-08 ] [ -3.709331925626284e+108 2.00543678580758e-09 2.791678654725066e-08 ] [ 3.709331925626284e+108 2.00543678580758e-09 2.791678654725066e-08 ] [ 3.533806577087835e-08 -2.540283764746763e-08 -1.972846863098589e-08 ] [ 4.275532497314678e-08 -3.168363131601048e-08 2.290922549596773e-08 ] [ 2.699173238429886e-08 4.962574367079335e-08 3.95305037649984e-12 ] ] } "relaxed-potential-energy" { "source-value" -2.1419745e+100 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.43182146624977e+81 } }