{ "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" [ [ 1.769072 1.556883 1.447632 ] [ 2.706705 2.541189 3.648112 ] [ 2.031108 4.136433 1.782649 ] [ 3.490046 0.5483522 2.253956 ] [ 3.629143 2.897596 1.184251 ] [ 4.796562 2.667265 3.117649 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.769072e-10 1.556883e-10 1.447632e-10 ] [ 2.706705e-10 2.541189e-10 3.648112e-10 ] [ 2.031108e-10 4.136433e-10 1.782649e-10 ] [ 3.490046e-10 5.483522e-11 2.253956e-10 ] [ 3.629143e-10 2.897596e-10 1.184251e-10 ] [ 4.796562e-10 2.667265e-10 3.117649e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.2876027 0.0457939 -2.6326366 ] [ -5.8174062 0.5035063 4.0018518 ] [ -5.8425846 4.8723382 1.4312846 ] [ 5.1219687 -4.691537 1.9925671 ] [ 6.9948834 -0.5531784 -6.4768147 ] [ 7.8307415 -0.176923 1.6837478 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.327820328841896e-08 7.336991595525311e-11 -4.217948811582402e-09 ] [ -9.32051220733697e-09 8.06706022285511e-10 6.411673393866398e-09 ] [ -9.36085245116612e-09 7.806346352670755e-09 2.29317072383108e-09 ] [ 8.20629850360937e-09 -7.516670897018169e-09 3.192444422995256e-09 ] [ 1.120703864870201e-08 -8.862894996115506e-10 -1.037700108959377e-08 ] [ 1.254623095482832e-08 -2.834618942817984e-10 2.697661360483434e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.7558035 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.242616704321881e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4928444 1.6314775 1.4007789 ] [ 2.5231196 2.5465433 3.7082427 ] [ 1.8507673 4.1752119 1.8492698 ] [ 3.6765599 0.5491683 2.3286575 ] [ 3.8460414 2.8474511 0.9457622 ] [ 5.0333034 2.5978662 3.2015379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4928444e-10 1.6314775e-10 1.4007789e-10 ] [ 2.5231196e-10 2.546543300000001e-10 3.7082427e-10 ] [ 1.8507673e-10 4.1752119e-10 1.8492698e-10 ] [ 3.6765599e-10 5.491683000000001e-11 2.3286575e-10 ] [ 3.8460414e-10 2.8474511e-10 9.457622e-11 ] [ 5.0333034e-10 2.5978662e-10 3.2015379e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.62e-05 -8.5e-06 5.4e-06 ] [ 1.21e-05 6.2e-06 -2.46e-05 ] [ 6.5e-06 7e-07 8.1e-06 ] [ 4.7e-06 9.3e-06 -1.39e-05 ] [ 1.28e-05 -1.63e-05 3.55e-05 ] [ -1.99e-05 8.5e-06 -1.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.595526125696e-14 -1.36185012768e-14 8.65175375232e-15 ] [ 1.938633711168e-14 9.93349504896e-15 -3.941354487168e-14 ] [ 1.04141480352e-14 1.12152363456e-15 1.297763062848e-14 ] [ 7.53023011776e-15 1.490024257344e-14 -2.227025502912e-14 ] [ 2.050786074624e-14 -2.611547891904e-14 5.68772700384e-14 ] [ -3.188331475392e-14 1.36185012768e-14 -1.68228545184e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.220528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.118162087623178e-18 } }