{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.063008 0.092491 -1.3985739 ] [ 1.3223955 0.253731 1.6452586 ] [ -1.0395185 -0.4560174 -1.2472022 ] [ -0.7812309 1.3466011 -0.181422 ] [ -0.7952766 -0.4271636 0.4421767 ] [ -0.4889236 0.9148473 0.6363905 ] [ 0.7195461 -1.7244894 0.1033723 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.703126565323366e-09 1.481869178344128e-10 -2.240762405041077e-09 ] [ 2.118711153551126e-09 4.065218761722048e-10 2.635994864090139e-09 ] [ -1.665492237589085e-09 -7.30620416958002e-10 -1.998238206250326e-09 ] [ -1.251669883426543e-09 2.157492799963563e-09 -2.906700868987776e-10 ] [ -1.274173575589313e-09 -6.843915331767628e-10 7.084451710024954e-10 ] [ -7.833419612773709e-10 1.465746955662004e-09 1.019609980799222e-09 ] [ 1.152839939007819e-09 -2.762936599497419e-09 1.656206822983239e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -29.260208 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.688002117734512e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0552678 2.0611793 1.3220709 ] [ 2.0168208 1.6995747 3.7874746 ] [ 2.3050778 3.8943885 2.6428898 ] [ 3.3846723 0.4130597 2.1491114 ] [ 4.3792027 2.6906598 1.9650675 ] [ 4.4561378 1.2276871 3.9810404 ] [ 3.7889058 3.3792673 4.2862173 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0552678e-10 2.0611793e-10 1.3220709e-10 ] [ 2.0168208e-10 1.6995747e-10 3.7874746e-10 ] [ 2.3050778e-10 3.8943885e-10 2.6428898e-10 ] [ 3.3846723e-10 4.130597e-11 2.1491114e-10 ] [ 4.3792027e-10 2.6906598e-10 1.9650675e-10 ] [ 4.4561378e-10 1.2276871e-10 3.9810404e-10 ] [ 3.7889058e-10 3.3792673e-10 4.2862173e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.6e-05 1.51e-05 3.16e-05 ] [ -1.85e-05 -9.5e-06 -7.9e-06 ] [ -6.7e-06 -1e-07 -5.6e-06 ] [ 1.8e-05 -1.02e-05 4.2e-06 ] [ 5.2e-05 1.42e-05 -6.84e-05 ] [ -1.63e-05 6.4e-06 2.62e-05 ] [ -2.5e-06 -1.59e-05 1.99e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.16565921408e-14 2.419286697408e-14 5.062878121728e-14 ] [ -2.96402674848e-14 -1.52206778976e-14 -1.265719530432e-14 ] [ -1.073458335936e-14 -1.6021766208e-16 -8.972189076479999e-15 ] [ 2.88391791744e-14 -1.634220153216e-14 6.72914180736e-15 ] [ 8.33131842816e-14 2.275090801536e-14 -1.0958888086272e-13 ] [ -2.611547891904e-14 1.025393037312e-14 4.197702746496e-14 ] [ -4.005441552e-15 -2.547460827072e-14 3.188331475392e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.185082 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.836183267733091e-18 } }