{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9413177 -9.84559 -5.8804821 ] [ 0.3170765 0.0116668 -0.5697511 ] [ -6.1951707 -0.1001087 -6.4340907 ] [ -1.2521079 2.9129803 12.3035007 ] [ -0.1730895 6.0135103 0.9708559 ] [ 2.8313641 2.9985264 -2.306227 ] [ 5.4132451 -1.9909851 1.9161943 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.508157211685228e-09 -1.577437411598227e-08 -9.421570939652888e-09 ] [ 5.080125553050912e-10 1.869227419954944e-11 -9.128418920950828e-10 ] [ -9.925757657405171e-09 -1.603918186786809e-10 -1.030854969564671e-08 ] [ -2.006098004098984e-09 4.667108933510971e-09 1.971238117553644e-08 ] [ -2.773199502059616e-10 9.634705611599994e-09 1.555482625145743e-09 ] [ 4.536345365992433e-09 4.804168894931589e-09 -3.694982981657721e-09 ] [ 8.672974741880159e-09 -3.189909779581151e-09 3.070081708370221e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.976546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.758636537833576e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5244107 0.5057484 2.6247637 ] [ 2.8638364 2.6862717 0.4969179 ] [ 1.1382066 2.4754032 2.4732662 ] [ 2.5385489 2.6406238 5.2249316 ] [ 2.409724 4.4416001 3.4680817 ] [ 4.3893875 3.5791841 2.3129061 ] [ 4.3048389 1.5993017 3.7768865 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5244107e-10 5.057484e-11 2.6247637e-10 ] [ 2.8638364e-10 2.6862717e-10 4.969179e-11 ] [ 1.1382066e-10 2.4754032e-10 2.4732662e-10 ] [ 2.5385489e-10 2.6406238e-10 5.2249316e-10 ] [ 2.409724e-10 4.4416001e-10 3.4680817e-10 ] [ 4.3893875e-10 3.5791841e-10 2.3129061e-10 ] [ 4.3048389e-10 1.5993017e-10 3.7768865e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.77e-05 2.7e-06 1.64e-05 ] [ -3.9e-05 2.06e-05 2.61e-05 ] [ 3.56e-05 -2.68e-05 -5.42e-05 ] [ 1.37e-05 2.44e-05 -3e-05 ] [ 1.7e-06 -4.94e-05 1.77e-05 ] [ 2.02e-05 -5.4e-06 2.05e-05 ] [ 1.54e-05 3.39e-05 3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.642382481215999e-14 4.32587687616e-15 2.627569658112e-14 ] [ -6.248488821120001e-14 3.300483838848e-14 4.181680980288e-14 ] [ 5.703748770048e-14 -4.293833343744e-14 -8.683797284736e-14 ] [ 2.194981970496e-14 3.909310954752e-14 -4.8065298624e-14 ] [ 2.72370025536e-15 -7.914752506752001e-14 2.835852618816e-14 ] [ 3.236396774016e-14 -8.65175375232e-15 3.28446207264e-14 ] [ 2.467351996032e-14 5.431378744512e-14 5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.508478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.965385073819114e-18 } }