{ "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" [ [ 2.082752 2.058358 1.918508 ] [ 1.804708 3.969119 3.022657 ] [ 3.997636 1.573064 0.3548062 ] [ 3.986466 2.315414 3.180743 ] [ 3.658552 3.790773 1.50531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.082752e-10 2.058358e-10 1.918508e-10 ] [ 1.804708e-10 3.969119e-10 3.022657e-10 ] [ 3.997636e-10 1.573064e-10 3.548062000000001e-11 ] [ 3.986466e-10 2.315414e-10 3.180743e-10 ] [ 3.658552e-10 3.790773e-10 1.50531e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.4766999 -7.6811805 -1.9378601 ] [ -6.392679 6.857048 2.6994513 ] [ 0.7939367 -1.5629203 -3.6056065 ] [ 7.6003752 -5.3548339 7.9829026 ] [ 4.475067 7.7418867 -5.1388873 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.03768171597177e-08 -1.230660781724485e-08 -3.10479414660115e-09 ] [ -1.024220083807912e-08 1.09862019933034e-08 4.324997761848168e-09 ] [ 1.272026819135104e-09 -2.504074364833722e-09 -5.776818438104515e-09 ] [ 1.217714345474812e-08 -8.579389682847285e-09 1.279001991184353e-08 ] [ 7.169847723913594e-09 1.240386987162246e-08 -8.233405088986036e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.9059651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.860222585680735e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3247141 1.7991446 2.2194508 ] [ 1.3195896 4.3161611 2.3911538 ] [ 3.4958481 1.8912504 -0.2290365 ] [ 4.5026293 2.0166172 3.8271024 ] [ 3.887333 3.6835547 1.7733536 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3247141e-10 1.7991446e-10 2.2194508e-10 ] [ 1.3195896e-10 4.3161611e-10 2.3911538e-10 ] [ 3.4958481e-10 1.8912504e-10 -2.290365e-11 ] [ 4.5026293e-10 2.0166172e-10 3.8271024e-10 ] [ 3.887333e-10 3.6835547e-10 1.7733536e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.35e-05 -7.2e-05 2.94e-05 ] [ -2.56e-05 3.42e-05 -8.7e-06 ] [ 3.3e-06 5.9e-06 -4.02e-05 ] [ 2.77e-05 -1.38e-05 3.73e-05 ] [ 3.81e-05 4.57e-05 -1.78e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.969468300480001e-14 -1.153567166976e-13 4.710399265152e-14 ] [ -4.101572149248001e-14 5.479444043136e-14 -1.393893660096e-14 ] [ 5.28718284864e-15 9.45284206272e-15 -6.440750015616e-14 ] [ 4.438029239616e-14 -2.211003736704e-14 5.976118795584e-14 ] [ 6.104292925248e-14 7.321947157056e-14 -2.851874385024e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.48481 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.840069407633005e-18 } }