{ "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" [ [ 2.599025 3.051266 5.123232 ] [ 1.56583 2.880417 3.388537 ] [ 2.27514 4.963397 2.856014 ] [ 3.509207 1.897473 3.301843 ] [ 3.336514 3.219201 1.422465 ] [ 4.208969 3.943636 3.692529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.599025e-10 3.051266e-10 5.123232e-10 ] [ 1.56583e-10 2.880417e-10 3.388537e-10 ] [ 2.27514e-10 4.963397e-10 2.856014e-10 ] [ 3.509207e-10 1.897473e-10 3.301843e-10 ] [ 3.336514e-10 3.219201e-10 1.422465e-10 ] [ 4.208969e-10 3.943636e-10 3.692529e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9871223 2.3481124 12.5901934 ] [ -10.6178006 -2.4712474 4.4955242 ] [ -2.703702 6.3439809 -2.431363 ] [ 5.4129726 -12.4295299 -8.9309288 ] [ 2.9932949 -1.6611913 -10.561362 ] [ 10.9023574 7.8698753 4.8379363 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.592427453960338e-09 3.762090821285662e-09 2.017171368302102e-08 ] [ -1.701159202579118e-08 -3.959374841113252e-09 7.202623830821542e-09 ] [ -4.331808169699068e-09 1.016417796452229e-08 -3.895472987372141e-09 ] [ 8.672538220202226e-09 -1.991430237738436e-08 -1.430892544327766e-08 ] [ 4.795787147451366e-09 -2.661521885464084e-09 -1.692116741961551e-08 ] [ 1.746750228179699e-08 1.260893031815374e-08 7.751228496640414e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.0389677 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.471139674420721e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.4464534 3.337122 5.9360416 ] [ 1.3806446 2.7255776 3.6080529 ] [ 2.4236315 4.7805117 2.6225993 ] [ 3.6083117 1.8664951 2.8457036 ] [ 3.3851083 3.3146749 0.6588315 ] [ 4.2505356 3.9310087 4.1133912 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4464534e-10 3.337122e-10 5.9360416e-10 ] [ 1.3806446e-10 2.7255776e-10 3.6080529e-10 ] [ 2.4236315e-10 4.7805117e-10 2.6225993e-10 ] [ 3.6083117e-10 1.8664951e-10 2.8457036e-10 ] [ 3.3851083e-10 3.3146749e-10 6.588315e-11 ] [ 4.2505356e-10 3.9310087e-10 4.1133912e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.4e-06 -7.8e-06 -1.17e-05 ] [ -1.7e-05 -7.1e-06 -2.39e-05 ] [ 1.65e-05 -3.93e-05 -1e-07 ] [ -1.76e-05 2.72e-05 3.57e-05 ] [ -1.05e-05 1.75e-05 1.47e-05 ] [ 2.21e-05 9.4e-06 -1.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.02539304576e-14 -1.24969777452e-14 -1.87454666178e-14 ] [ -2.723700277799999e-14 -1.13754541014e-14 -3.82920215526e-14 ] [ 2.6435914461e-14 -6.29655417162e-14 -1.602176634e-16 ] [ -2.81983087584e-14 4.35792044448e-14 5.719770583379999e-14 ] [ -1.6822854657e-14 2.8038091095e-14 2.35519965198e-14 ] [ 3.54081036114e-14 1.50604603596e-14 -2.35519965198e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.441499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.474000889173436e-18 } }