{ "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" [ [ 0.3288529 1.174724 0.8712814 ] [ 1.395659 1.176494 2.521247 ] [ 2.395391 0.4245255 0.3168768 ] [ 2.017962 2.536207 0.5333854 ] [ 2.744316 1.992854 1.84914 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.288529e-11 1.174724e-10 8.712814e-11 ] [ 1.395659e-10 1.176494e-10 2.521247e-10 ] [ 2.395391e-10 4.245255e-11 3.168768e-11 ] [ 2.017962e-10 2.536207e-10 5.333854e-11 ] [ 2.744316e-10 1.992854e-10 1.84914e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -26.3514112 -5.8103045 -8.4428406 ] [ -14.5497308 -10.6512488 29.9265423 ] [ 9.8889286 -18.7588401 -16.1403724 ] [ -3.3246529 25.9153746 -26.9103708 ] [ 34.3368662 9.3050188 21.5670415 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.221961494972728e-08 -9.309134029629033e-09 -1.352692182246104e-08 ] [ -2.331123852669368e-08 -1.706518180968405e-08 4.794760641444226e-08 ] [ 1.584381020768048e-08 -3.005497504154554e-08 -2.585972731028559e-08 ] [ -5.32668114865492e-09 4.152100730339415e-08 -4.311516695281899e-08 ] [ 5.501372425717774e-08 1.490828357746447e-08 3.455420967112336e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 25.715515 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.120079692483171e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2869999 1.0751051 0.5760067 ] [ 1.0724532 1.2020598 3.0061577 ] [ 2.5731205 -0.02756 0.2653077 ] [ 1.6837308 3.2083744 0.3836972 ] [ 3.2658765 1.8468252 1.8607613 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.869999e-11 1.0751051e-10 5.760067e-11 ] [ 1.0724532e-10 1.2020598e-10 3.0061577e-10 ] [ 2.5731205e-10 -2.756e-12 2.653077e-11 ] [ 1.6837308e-10 3.2083744e-10 3.836972000000001e-11 ] [ 3.2658765e-10 1.8468252e-10 1.8607613e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.38e-05 -1.82e-05 -5.8e-06 ] [ 2.08e-05 1.02e-05 4.4e-06 ] [ -2.29e-05 2.62e-05 -3.3e-06 ] [ 1.61e-05 -1.22e-05 2.6e-06 ] [ -3.78e-05 -5.9e-06 2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.813180357504e-14 -2.915961449856e-14 -9.292624400640001e-15 ] [ 3.332527371264e-14 1.634220153216e-14 7.04957713152e-15 ] [ -3.668984461632e-14 4.197702746496e-14 -5.28718284864e-15 ] [ 2.579504359488e-14 -1.954655477376e-14 4.16565921408e-15 ] [ -6.056227626623999e-14 -9.45284206272e-15 3.52478856576e-15 ] ] } "relaxed-potential-energy" { "source-value" -6.4498528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.033380336376142e-18 } }