{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.02058 1.85993 1.630827 ] [ 2.141944 2.227969 3.994537 ] [ 1.553014 3.937737 2.507181 ] [ 3.345417 1.636187 2.240659 ] [ 3.907909 3.941805 1.929299 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.02058e-10 1.85993e-10 1.630827e-10 ] [ 2.141944e-10 2.227969e-10 3.994537e-10 ] [ 1.553014e-10 3.937737e-10 2.507181e-10 ] [ 3.345417e-10 1.636187e-10 2.240659e-10 ] [ 3.907909e-10 3.941805e-10 1.929299e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.204512 -1.6757553 -2.0578192 ] [ -0.8766517 -0.6178141 4.8048993 ] [ -1.0590598 3.9312602 -0.3071778 ] [ 3.5272609 -2.296846 -2.0516533 ] [ 0.6129625 0.6591552 -0.3882489 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.532017586673049e-09 -2.684855963841691e-09 -3.296989812073359e-09 ] [ -1.404550858324575e-09 -9.898473070205933e-10 7.698297323758284e-09 ] [ -1.696800851589124e-09 6.298573182721532e-09 -4.921530895887782e-10 ] [ 5.651294949441966e-09 -3.679952962777997e-09 -3.287110951247168e-09 ] [ 9.8207418692712e-10 1.056083050918748e-09 -6.220433106313171e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.909616 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.747913169710561e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0887775 1.8492918 1.6609552 ] [ 1.9620464 2.1501469 4.0697498 ] [ 1.5665713 4.1559581 2.5811124 ] [ 3.5442923 1.553948 2.1891392 ] [ 3.8071765 3.8942832 1.8015464 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0887775e-10 1.8492918e-10 1.6609552e-10 ] [ 1.9620464e-10 2.1501469e-10 4.0697498e-10 ] [ 1.5665713e-10 4.1559581e-10 2.5811124e-10 ] [ 3.5442923e-10 1.553948e-10 2.1891392e-10 ] [ 3.8071765e-10 3.8942832e-10 1.8015464e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.75e-05 4.4e-06 2.9e-06 ] [ -1.32e-05 8.2e-06 1.8e-05 ] [ -1.18e-05 -3.07e-05 1.02e-05 ] [ -4.35e-05 -1.24e-05 -1.01e-05 ] [ 3.09e-05 3.05e-05 -2.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.008162327999999e-14 7.04957713152e-15 4.646312200320001e-15 ] [ -2.114873139456e-14 1.313784829056e-14 2.88391791744e-14 ] [ -1.890568412544e-14 -4.918682225856e-14 1.634220153216e-14 ] [ -6.969468300480001e-14 -1.986699009792e-14 -1.618198387008e-14 ] [ 4.950725758272e-14 4.88663869344e-14 -3.348549137472e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.878088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.903079489340503e-18 } }