{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1319661 -5.4588614 -3.7270835 ] [ 9.5460637 2.9032844 -1.0839113 ] [ -1.7462478 4.6435908 -1.287553 ] [ -3.3441685 0.0067415 4.1058533 ] [ 0.8379444 0.8850142 2.6347236 ] [ 2.2369794 0.564667 -7.6988919 ] [ -2.3986051 -3.5444366 7.0568628 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.222316104158155e-09 -8.746060111267557e-09 -5.971446047469436e-09 ] [ 1.529448008080754e-08 4.651574389213356e-09 -1.736617343880935e-09 ] [ -2.797797399283435e-09 7.439852616321969e-09 -2.062887314640902e-09 ] [ -5.357948586715805e-09 1.08010736891232e-11 6.578302165694528e-09 ] [ 1.342534927210284e-09 1.417949060316015e-09 4.221292554190011e-09 ] [ 3.584036095891212e-09 9.046962659372736e-10 -1.233498460824649e-08 ] [ -3.842989013751647e-09 -5.678813454427842e-09 1.130634059435323e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.217337 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.918739143463481e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5442912 2.2742122 1.9582917 ] [ 2.7692236 2.7003091 4.1698284 ] [ 1.7832582 4.5731649 2.7230416 ] [ 3.6561614 1.1278647 2.3494765 ] [ 5.2003279 2.7183344 3.3560073 ] [ 3.7215162 3.5161785 1.419652 ] [ 4.0428105 4.8476482 3.5868775 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5442912e-10 2.2742122e-10 1.9582917e-10 ] [ 2.7692236e-10 2.7003091e-10 4.1698284e-10 ] [ 1.7832582e-10 4.5731649e-10 2.7230416e-10 ] [ 3.6561614e-10 1.1278647e-10 2.3494765e-10 ] [ 5.200327899999999e-10 2.7183344e-10 3.3560073e-10 ] [ 3.7215162e-10 3.5161785e-10 1.419652e-10 ] [ 4.0428105e-10 4.847648200000001e-10 3.5868775e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.09e-05 6e-06 1.15e-05 ] [ -5.7e-06 -4.5e-06 -2.04e-05 ] [ -3.86e-05 2.12e-05 2.07e-05 ] [ 1.2e-06 3.6e-06 4.2e-05 ] [ 3.1e-06 -2.93e-05 -1.53e-05 ] [ 2.05e-05 8.3e-06 -5.16e-05 ] [ -1.14e-05 -5.3e-06 1.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.950725758272e-14 9.6130597248e-15 1.84250311392e-14 ] [ -9.13240673856e-15 -7.2097947936e-15 -3.268440306432e-14 ] [ -6.184401756288e-14 3.396614436096001e-14 3.316505605055999e-14 ] [ 1.92261194496e-15 5.76783583488e-15 6.72914180736e-14 ] [ 4.96674752448e-15 -4.694377498944e-14 -2.451330229824e-14 ] [ 3.28446207264e-14 1.329806595264e-14 -8.267231363328e-14 ] [ -1.826481347712e-14 -8.491536090240001e-15 2.098851373248e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }