{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.154511 -18.9704142 -21.3719079 ] [ 0.3804615 -0.0414842 1.1979637 ] [ -10.6972086 -1.0471449 -13.2302782 ] [ -27.4987357 -50.9623589 66.2607023 ] [ 16.4748007 66.7579478 -42.2152244 ] [ 0.4943585 6.3476256 -8.9345271 ] [ 33.0008346 -2.0841712 18.2932715 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.947367336145643e-08 -3.039395411813234e-08 -3.424157117927083e-08 ] [ 6.095665204144993e-10 -6.646501537259136e-11 1.919349432707065e-09 ] [ -1.71388175267407e-08 -1.677711077369954e-09 -2.119724241871991e-08 ] [ -4.405783144009833e-08 -8.16506999703988e-08 1.061613481028488e-07 ] [ 2.639554051387947e-08 1.069580232177468e-07 -6.76362455755057e-08 ] [ 7.920496309937568e-10 1.017001733391157e-08 -1.431469043752402e-08 ] [ 5.287316566300772e-08 -3.339210370384681e-09 2.930905191524695e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.4002425 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.243435796950544e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.8397808 0.8314799 2.556069 ] [ 2.5451421 2.4959429 0.4519576 ] [ 0.9103687 2.8147662 2.494194 ] [ 2.2461237 2.3047944 4.8225418 ] [ 2.5645533 4.5944412 3.5381778 ] [ 4.3201188 3.2297872 2.2320719 ] [ 4.7428656 1.6569212 4.2827415 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8397808e-10 8.314799000000001e-11 2.556069e-10 ] [ 2.5451421e-10 2.4959429e-10 4.519576e-11 ] [ 9.103687e-11 2.8147662e-10 2.494194e-10 ] [ 2.2461237e-10 2.3047944e-10 4.8225418e-10 ] [ 2.5645533e-10 4.594441200000001e-10 3.5381778e-10 ] [ 4.3201188e-10 3.2297872e-10 2.2320719e-10 ] [ 4.7428656e-10 1.6569212e-10 4.2827415e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.08e-05 2.17e-05 9.1e-06 ] [ 2.95e-05 1.8e-06 1.46e-05 ] [ 3.33e-05 1.11e-05 -1.76e-05 ] [ 3.11e-05 -8e-07 -4.74e-05 ] [ -2.4e-05 -6.2e-06 -2.6e-06 ] [ -8.15e-05 -1.71e-05 1.84e-05 ] [ 7.24e-05 -1.05e-05 2.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.741233854464e-14 3.476723267136e-14 1.457980724928e-14 ] [ 4.72642103136e-14 2.88391791744e-15 2.339177866368e-14 ] [ 5.335248147264001e-14 1.778416049088e-14 -2.819830852608e-14 ] [ 4.982769290688e-14 -1.28174129664e-15 -7.594317182591999e-14 ] [ -3.84522388992e-14 -9.93349504896e-15 -4.16565921408e-15 ] [ -1.305773945952e-13 -2.739722021568e-14 2.948004982272e-14 ] [ 1.1599758734592e-13 -1.68228545184e-14 4.08555038304e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.766486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.968028484857051e-18 } }