{ "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" [ [ 1.256228 0.2353278 1.625271 ] [ 0.7175946 2.735818 1.079118 ] [ 2.902295 0.4260222 2.532348 ] [ 1.615511 1.481432 2.901286 ] [ 2.936652 2.941975 2.695922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.256228e-10 2.353278e-11 1.625271e-10 ] [ 7.175946e-11 2.735818e-10 1.079118e-10 ] [ 2.902295e-10 4.260222e-11 2.532348e-10 ] [ 1.615511e-10 1.481432e-10 2.901286e-10 ] [ 2.936652e-10 2.941975e-10 2.695922e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.3210711 -15.4847384 -22.7399446 ] [ -0.788045 -0.6284208 -0.5435958 ] [ 37.6018351 -18.9947428 0.9442237 ] [ -26.4108904 25.9980537 22.7617791 ] [ 7.9181713 9.1098483 -0.4224624 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.935359202627267e-08 -2.480928604808254e-08 -3.643340789657448e-08 ] [ -1.26258728554053e-09 -1.006841122079587e-09 -8.70936489100537e-10 ] [ 6.024478159274105e-08 -3.043293308299973e-08 1.512813149409026e-09 ] [ -4.231491148201491e-08 4.165347416761724e-08 3.646839062228954e-08 ] [ 1.26863090408694e-08 1.459558608554462e-08 -6.768593860235616e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 9.4864807 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.519901771643196e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9827935 -0.2253368 0.8098404 ] [ 0.3785671 2.042117 1.2084826 ] [ 2.6159435 -0.0936744 2.5363515 ] [ 2.0116505 2.1737484 2.9350557 ] [ 3.439326 3.9237208 3.3442149 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.827935000000001e-11 -2.253368e-11 8.098404000000001e-11 ] [ 3.785671e-11 2.042117e-10 1.2084826e-10 ] [ 2.6159435e-10 -9.367440000000001e-12 2.5363515e-10 ] [ 2.0116505e-10 2.1737484e-10 2.9350557e-10 ] [ 3.439326e-10 3.9237208e-10 3.3442149e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-05 1.61e-05 -1.79e-05 ] [ -3.29e-05 -1.26e-05 1.14e-05 ] [ -9.1e-06 -2.5e-05 1.55e-05 ] [ 1.81e-05 5.99e-05 5.2e-06 ] [ -8.1e-06 -3.84e-05 -1.41e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.126965228799999e-14 2.579504380739999e-14 -2.86789617486e-14 ] [ -5.271161125859999e-14 -2.01874255884e-14 1.82648136276e-14 ] [ -1.45798073694e-14 -4.005441585e-14 2.4833737827e-14 ] [ 2.899939707539999e-14 9.597038037659999e-14 8.331318496799998e-15 ] [ -1.29776307354e-14 -6.152358274559999e-14 -2.25906905394e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.301703 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.81073244710077e-18 } }