{ "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" [ [ 0.0066411 1.299857 0.8298456 ] [ 0.9999642 1.240181 2.737035 ] [ 2.654666 1.132969 0.0147569 ] [ 2.745471 0.2375767 2.196855 ] [ 1.997397 2.884463 1.181944 ] [ 2.106064 2.994709 2.966195 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.6411e-13 1.299857e-10 8.298456e-11 ] [ 9.999642e-11 1.240181e-10 2.737035e-10 ] [ 2.654666e-10 1.132969e-10 1.47569e-12 ] [ 2.745471000000001e-10 2.375767e-11 2.196855e-10 ] [ 1.997397e-10 2.884463e-10 1.181944e-10 ] [ 2.106064e-10 2.994709e-10 2.966195e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.642111 -1.6657115 -3.1920266 ] [ -6.2856785 -8.7499511 9.3794936 ] [ 0.3374475 -1.8731615 -1.8611785 ] [ 2.8546022 -3.9500395 1.2523629 ] [ 4.9086462 13.4422127 -10.7152568 ] [ 1.8270936 2.7966509 5.1366053 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.835305142634373e-09 -2.668764044285091e-09 -5.114190433626464e-09 ] [ -1.007076722153617e-08 -1.40189672010626e-08 1.502760548467254e-08 ] [ 5.40650499701715e-10 -3.001135587008391e-09 -2.981936704403169e-09 ] [ 4.573576944204994e-09 -6.328660990277042e-09 2.006506575668478e-09 ] [ 7.86451824621289e-09 2.153679909719805e-08 -1.716773407226961e-08 ] [ 2.927326674050942e-09 4.480728725435069e-09 8.22974898974056e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.661553 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.34903976347526e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0544785 1.301135 0.5583655 ] [ 1.1416994 1.2616186 2.8039188 ] [ 2.5626915 0.9434469 0.0529351 ] [ 2.8501694 -0.2002456 2.1033623 ] [ 1.7807974 3.1089498 1.0212449 ] [ 2.1203672 3.3748511 3.3868049 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.44785e-12 1.301135e-10 5.583655e-11 ] [ 1.1416994e-10 1.2616186e-10 2.8039188e-10 ] [ 2.5626915e-10 9.434469e-11 5.29351e-12 ] [ 2.8501694e-10 -2.002456e-11 2.1033623e-10 ] [ 1.7807974e-10 3.1089498e-10 1.0212449e-10 ] [ 2.1203672e-10 3.3748511e-10 3.3868049e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001547 7.06e-05 8.04e-05 ] [ -8.7e-06 -8.9e-06 -3.05e-05 ] [ -0.0001311 6.32e-05 3.05e-05 ] [ 3.7e-05 -6.67e-05 -2.09e-05 ] [ 3.11e-05 -9.93e-05 -6.36e-05 ] [ -8.3e-05 4.11e-05 4.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.478567252797999e-13 1.131136703604e-13 1.288150013736e-13 ] [ -1.39389367158e-14 -1.42593720426e-14 -4.886638733699999e-14 ] [ -2.100453567174e-13 1.012575632688e-13 4.886638733699999e-14 ] [ 5.9280535458e-14 -1.068651814878e-13 -3.34854916506e-14 ] [ 4.982769331739999e-14 -1.590961397562e-13 -1.018984339224e-13 ] [ -1.32980660622e-13 6.58494596574e-14 6.729141862799999e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.223854 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.240218632822743e-18 } }