{ "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" [ [ 2.717363 2.851349 1.457488 ] [ 0.2108152 2.748454 1.624055 ] [ 2.409053 4.258926 3.949315 ] [ 4.77033 2.580775 2.438947 ] [ 3.623649 2.286945 4.240246 ] [ 4.139768 4.74377 1.918983 ] [ 5.145543 4.155434 3.91724 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.717363e-10 2.851349e-10 1.457488e-10 ] [ 2.108152e-11 2.748454e-10 1.624055e-10 ] [ 2.409053e-10 4.258926e-10 3.949315e-10 ] [ 4.770330000000001e-10 2.580775e-10 2.438947e-10 ] [ 3.623649e-10 2.286945e-10 4.240246e-10 ] [ 4.139768e-10 4.743769999999999e-10 1.918983e-10 ] [ 5.145543e-10 4.155434e-10 3.91724e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3211831 0.5897604 0.7408629 ] [ 0.6556118 0.0828175 0.0777286 ] [ 1.3855793 -0.485304 -1.4875368 ] [ 2.2579024 -2.2835181 -3.0045387 ] [ -1.5586974 -0.0897029 1.8601211 ] [ -1.1588416 0.8565876 -0.08013 ] [ -0.2603715 1.3293595 1.8934929 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.116768674616069e-09 9.449003247536563e-10 1.186993217598088e-09 ] [ 1.050405898280605e-09 1.32688262293104e-10 1.245349456875149e-10 ] [ 2.219942760724429e-09 -7.775427227807232e-10 -2.383296683539646e-09 ] [ 3.61755843732821e-09 -3.658599312993637e-09 -4.813801661428824e-09 ] [ -2.497308533181746e-09 -1.437198891979603e-10 2.980242538276779e-09 ] [ -1.856668918730465e-09 1.372404626387182e-09 -1.28382412624704e-10 ] [ -4.171611300226272e-10 2.129868711538378e-09 3.033710056030793e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.1591400855724565 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.14702068701363e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3679312 3.0580666 2.2519333 ] [ 0.3241567 2.353872 1.0515541 ] [ 2.8785357 4.5894071 4.0301056 ] [ 4.7030292 2.5071935 2.1450497 ] [ 3.5538063 2.326384 4.20794 ] [ 4.0277583 4.7702262 1.9672179 ] [ 5.1613038 4.0205037 3.8924735 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3679312e-10 3.0580666e-10 2.2519333e-10 ] [ 3.241567e-11 2.353872e-10 1.0515541e-10 ] [ 2.8785357e-10 4.5894071e-10 4.0301056e-10 ] [ 4.7030292e-10 2.5071935e-10 2.1450497e-10 ] [ 3.5538063e-10 2.326384e-10 4.20794e-10 ] [ 4.027758300000001e-10 4.7702262e-10 1.9672179e-10 ] [ 5.1613038e-10 4.0205037e-10 3.8924735e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.9e-06 -1.95e-05 -2.08e-05 ] [ 4.3e-06 1.3e-05 3.57e-05 ] [ -1.09e-05 6.3e-06 -2.33e-05 ] [ 6e-06 1.58e-05 1.09e-05 ] [ -1.8e-05 -2.22e-05 -2.92e-05 ] [ 9.7e-06 -1.55e-05 1.42e-05 ] [ 1.69e-05 2.2e-05 1.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.265719530432e-14 -3.12424441056e-14 -3.332527371264e-14 ] [ 6.889359469440001e-15 2.08282960704e-14 5.719770536256001e-14 ] [ -1.746372516672e-14 1.009371271104e-14 -3.733071526464e-14 ] [ 9.6130597248e-15 2.531439060864e-14 1.746372516672e-14 ] [ -2.88391791744e-14 -3.556832098176e-14 -4.678355732736e-14 ] [ 1.554111322176e-14 -2.48337376224e-14 2.275090801536e-14 ] [ 2.707678489152e-14 3.52478856576e-14 2.018742542208e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.198226085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.473718278713689e-18 } }