{ "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" [ [ 5.0555853 5.4997061 8.4322508 ] [ -11.2723657 -9.4765433 33.5423579 ] [ 13.7209847 -26.1967652 -22.5265682 ] [ 6.2059814 29.899699 -22.0763587 ] [ -13.7101858 0.2739034 2.6283183 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.099940638853878e-09 8.811500607287267e-09 1.350995520378781e-08 ] [ -1.806032093444305e-08 -1.518309624634925e-08 5.37407820766453e-08 ] [ 2.19834410818115e-08 -4.197184508982433e-08 -3.609154121424744e-08 ] [ 9.943078390118607e-09 4.790459910143316e-08 -3.537022607294262e-08 ] [ -2.19661393365586e-08 4.388416274531556e-10 4.211030166974602e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.88998698 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.425916343920225e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2298413 1.1804303 1.0293233 ] [ 1.4401665 1.1094874 2.4539979 ] [ 2.4711294 0.188358 0.1952566 ] [ 2.1286972 2.7488829 0.3677314 ] [ 2.6123464 2.0776459 2.0456215 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.298413e-11 1.1804303e-10 1.0293233e-10 ] [ 1.4401665e-10 1.1094874e-10 2.4539979e-10 ] [ 2.4711294e-10 1.88358e-11 1.952566e-11 ] [ 2.1286972e-10 2.7488829e-10 3.677314e-11 ] [ 2.6123464e-10 2.0776459e-10 2.0456215e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.1e-06 3.03e-05 -1.24e-05 ] [ 2.01e-05 -6.58e-05 -5.7e-06 ] [ -1.04e-05 5.1e-06 3.31e-05 ] [ 9.7e-06 -2.19e-05 2.33e-05 ] [ -1.03e-05 5.24e-05 -3.82e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.45798073694e-14 4.854595201019999e-14 -1.98669902616e-14 ] [ 3.22037503434e-14 -1.054232225172e-13 -9.1324068138e-15 ] [ -1.66626369936e-14 8.1711008334e-15 5.303204658539999e-14 ] [ 1.55411133498e-14 -3.50876682846e-14 3.733071557219999e-14 ] [ -1.65024193302e-14 8.395405562159998e-14 -6.12031474188e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.213023 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.956742008110458e-18 } }