{ "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" [ [ 0.1263174 0.4385011 2.440297 ] [ 1.443642 1.70162 0.7822092 ] [ 0.8295505 2.763862 2.693363 ] [ 2.917075 0.1010564 1.432133 ] [ 1.93191 1.054076 2.887848 ] [ 2.783401 2.698255 1.169851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.263174e-11 4.385011e-11 2.440297e-10 ] [ 1.443642e-10 1.70162e-10 7.822092e-11 ] [ 8.295505e-11 2.763862e-10 2.693363e-10 ] [ 2.917075e-10 1.010564e-11 1.432133e-10 ] [ 1.93191e-10 1.054076e-10 2.887848e-10 ] [ 2.783401e-10 2.698255e-10 1.169851e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.9426968 -4.0596547 -1.9249916 ] [ -24.7692623 -15.8960928 -14.4110316 ] [ -5.5946201 9.3456988 1.7035169 ] [ 6.5777446 -5.7397592 -6.6291526 ] [ 10.8196496 -1.3119328 14.9364299 ] [ 23.909185 17.6617408 6.3252291 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.753213298146297e-08 -6.504283848860838e-09 -3.084176536756385e-09 ] [ -3.968473297152284e-08 -2.546834824622721e-08 -2.308901791113002e-08 ] [ -8.963569526477759e-09 1.497346012239861e-08 2.729334950317692e-09 ] [ 1.053870861571345e-08 -9.196107999261713e-09 -1.062107331143554e-08 ] [ 1.733498963436807e-08 -2.101948060220682e-09 2.393079878399808e-08 ] [ 3.830673722938205e-08 2.829722819238949e-08 1.013413418522382e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.666545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.272276057311136e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.0777388 0.5858302 2.5064046 ] [ 1.0494928 1.3796642 0.4884567 ] [ 0.7333391 2.8979808 2.5073021 ] [ 3.1287866 0.2568075 1.1118913 ] [ 2.2141477 0.9700345 3.2630956 ] [ 2.9838686 2.6670533 1.5285508 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.77388e-12 5.858302e-11 2.5064046e-10 ] [ 1.0494928e-10 1.3796642e-10 4.884567000000001e-11 ] [ 7.333391e-11 2.8979808e-10 2.5073021e-10 ] [ 3.1287866e-10 2.568075e-11 1.1118913e-10 ] [ 2.2141477e-10 9.700345e-11 3.2630956e-10 ] [ 2.9838686e-10 2.6670533e-10 1.5285508e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.6e-06 -5.7e-06 4.8e-06 ] [ -5.5e-06 -9.3e-06 -1.97e-05 ] [ 4.3e-06 3.7e-06 1.16e-05 ] [ 4.5e-06 -2.7e-06 -4.4e-06 ] [ -2.4e-06 9.8e-06 1.7e-06 ] [ 7.7e-06 4.2e-06 6.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.377871893888e-14 -9.13240673856e-15 7.69044777984e-15 ] [ -8.8119714144e-15 -1.490024257344e-14 -3.156287942976e-14 ] [ 6.889359469440001e-15 5.928053496960001e-15 1.858524880128e-14 ] [ 7.2097947936e-15 -4.32587687616e-15 -7.04957713152e-15 ] [ -3.84522388992e-15 1.570133088384e-14 2.72370025536e-15 ] [ 1.233675998016e-14 6.72914180736e-15 9.77327738688e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.587451 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.817820281166558e-18 } }