{ "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" [ [ 2.619068 2.165174 1.589354 ] [ 4.694039 1.985014 2.658467 ] [ 3.289805 2.94692 4.226906 ] [ 3.352089 4.483007 2.429606 ] [ 5.033516 4.030044 3.913159 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.619068e-10 2.165174e-10 1.589354e-10 ] [ 4.694039000000001e-10 1.985014e-10 2.658467e-10 ] [ 3.289805e-10 2.94692e-10 4.226906e-10 ] [ 3.352089e-10 4.483007e-10 2.429606e-10 ] [ 5.033516e-10 4.030044e-10 3.913159e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.7167034 -5.3882218 -11.2873117 ] [ 15.1139708 -24.594066 -7.824495 ] [ -13.3960051 -6.220642 24.1808387 ] [ -11.8071754 24.6380765 -13.2114424 ] [ 16.8059131 11.5648534 8.1424104 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.076134515632787e-08 -8.632882995644893e-09 -1.80842669174223e-08 ] [ 2.421525066321387e-08 -3.940403755561218e-08 -1.25362229585665e-08 ] [ -2.146276618333756e-08 -9.966567178766553e-09 3.874197443647587e-08 ] [ -1.891718038356489e-08 3.947455014978189e-08 -2.116706414032584e-08 ] [ 2.692604106001646e-08 1.852893774045939e-08 1.304557957983877e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.8717034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.581621239495187e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1977319 2.5588023 0.7863931 ] [ 4.746939 1.6173703 2.4164256 ] [ 3.4296402 3.1883446 5.7465537 ] [ 3.0328227 4.5936996 2.1188107 ] [ 4.5813833 3.6519422 3.7493089 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1977319e-10 2.5588023e-10 7.863931e-11 ] [ 4.746939e-10 1.6173703e-10 2.4164256e-10 ] [ 3.4296402e-10 3.1883446e-10 5.7465537e-10 ] [ 3.0328227e-10 4.5936996e-10 2.1188107e-10 ] [ 4.5813833e-10 3.6519422e-10 3.7493089e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.8e-06 -6.7e-06 9.6e-06 ] [ 1.8e-06 7.9e-06 -5.9e-06 ] [ -7.1e-06 -2.1e-06 -2.1e-06 ] [ 7.9e-06 5e-07 2.1e-06 ] [ 2.2e-06 4e-07 -3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.69044777984e-15 -1.073458335936e-14 1.538089555968e-14 ] [ 2.88391791744e-15 1.265719530432e-14 -9.45284206272e-15 ] [ -1.137545400768e-14 -3.36457090368e-15 -3.36457090368e-15 ] [ 1.265719530432e-14 8.010883104e-16 3.36457090368e-15 ] [ 3.52478856576e-15 6.408706483200001e-16 -5.928053496960001e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.419499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.669387769824898e-18 } }