{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.500338 2.7906 1.855645 ] [ 0.2759319 4.819421 1.912518 ] [ 2.741561 4.698408 2.586297 ] [ 3.692301 2.569506 2.304209 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.500338e-10 2.7906e-10 1.855645e-10 ] [ 2.759319e-11 4.819421e-10 1.912518e-10 ] [ 2.741561e-10 4.698407999999999e-10 2.586297e-10 ] [ 3.692301e-10 2.569506e-10 2.304209e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9715473 -5.0113797 -2.1751766 ] [ -1.6313343 1.6327264 -0.158648 ] [ 2.1769183 5.8289961 1.9214379 ] [ 4.4259633 -2.4503429 0.4123866 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.965296853261365e-09 -8.029115393291718e-09 -3.485017094631233e-09 ] [ -2.613685676169134e-09 2.615916066242949e-09 -2.541821165366784e-10 ] [ 3.487807605651681e-09 9.339081274154379e-09 3.078482881699048e-09 ] [ 7.091174923778817e-09 -3.925882107323272e-09 6.607161692512013e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.8600346 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.38881043319908e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1959163 2.3563205 1.6550045 ] [ 0.6555431 4.6554561 2.0092759 ] [ 2.9091433 5.082642 2.674355 ] [ 3.4495292 2.7835164 2.3200336 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1959163e-10 2.3563205e-10 1.6550045e-10 ] [ 6.555431e-11 4.6554561e-10 2.0092759e-10 ] [ 2.9091433e-10 5.082642000000001e-10 2.674355e-10 ] [ 3.4495292e-10 2.7835164e-10 2.3200336e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.2e-05 -8.7e-06 -2.05e-05 ] [ -7.2e-06 -7.7e-06 1.21e-05 ] [ 1.95e-05 8.5e-06 -8.8e-06 ] [ -2e-07 7.9e-06 1.72e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.92261194496e-14 -1.393893660096e-14 -3.28446207264e-14 ] [ -1.153567166976e-14 -1.233675998016e-14 1.938633711168e-14 ] [ 3.12424441056e-14 1.36185012768e-14 -1.409915426304e-14 ] [ -3.2043532416e-16 1.265719530432e-14 2.755743787776e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.6918948 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.392595063901309e-18 } }