{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.2683828 8.9311194 5.5295326 ] [ 6.8777432 -0.4472264 -6.1441047 ] [ -2.1288765 1.0115263 0.8591996 ] [ -8.3593993 -2.9527418 6.8604735 ] [ -1.1372028 -6.369525 -9.7375942 ] [ 2.0001554 3.8131789 -3.0082735 ] [ -2.5208027 -3.9863314 5.6407667 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.440879751584843e-09 1.430923070025332e-08 8.859287855671438e-09 ] [ 1.101935935890618e-08 -7.165356822845493e-10 -9.843940906087397e-09 ] [ -3.410836156870531e-09 1.620643789184327e-09 1.376589511720712e-09 ] [ -1.339323412239189e-08 -4.730813879218909e-09 1.099169024931795e-08 ] [ -1.821999739268298e-09 -1.020510404060112e-08 -1.560134577007768e-08 ] [ 3.204602219846873e-09 6.109386084507861e-09 -4.81978547067219e-09 ] [ -4.038771151589516e-09 -6.386806971840933e-09 9.037504530127167e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.6693323 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.549197814980629e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4620837 0.7472583 4.8244255 ] [ 1.3509739 1.4306907 3.0442546 ] [ 2.5719084 6.9796603 2.5794014 ] [ 2.2224168 2.9213195 1.6788409 ] [ 4.4850158 1.5995456 5.0143831 ] [ 3.0336533 4.9603756 1.833945 ] [ 5.6484332 3.1871247 4.0310714 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4620837e-10 7.472583000000001e-11 4.8244255e-10 ] [ 1.3509739e-10 1.4306907e-10 3.0442546e-10 ] [ 2.5719084e-10 6.9796603e-10 2.5794014e-10 ] [ 2.2224168e-10 2.9213195e-10 1.6788409e-10 ] [ 4.485015800000001e-10 1.5995456e-10 5.0143831e-10 ] [ 3.0336533e-10 4.9603756e-10 1.833945e-10 ] [ 5.648433200000001e-10 3.1871247e-10 4.0310714e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.151426 0.1138775 -0.3769181 ] [ 0.1591511 -0.3816144 0.3894068 ] [ 0.1412026 -0.0659917 -0.083361 ] [ -0.2110856 0.0004623 -0.1670888 ] [ -0.0527926 -0.1038885 0.1988091 ] [ -0.1021339 0.388246 -0.0235961 ] [ 0.2170844 0.0489088 0.062748 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.426111969812608e-10 1.82451868135152e-10 -6.038893677763564e-10 ] [ 2.549881715946029e-10 -6.114136698406195e-10 6.238984709405414e-10 ] [ 2.262315045161741e-10 -1.057303589068474e-10 -1.335590452865088e-10 ] [ -3.381964133075405e-10 7.406862517958401e-13 -2.67705768957527e-10 ] [ -8.458306947124609e-11 -1.664477258699808e-10 3.185272920222893e-10 ] [ -1.636365467711251e-10 6.220386643191168e-10 -3.780511976205888e-11 ] [ 3.478075504203955e-10 7.836053591138304e-11 1.005333786019584e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.85155 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.539698281344224e-18 } }