{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.1498248 -16.0578027 -2.2959892 ] [ -18.4539703 7.4485324 -9.8357139 ] [ -1.6332376 -6.1629405 11.4865452 ] [ 0.7068155 12.8038736 3.6500338 ] [ 11.8909014 -1.2047376 2.5276114 ] [ 1.5890847 2.5049802 -5.242436 ] [ -0.2494185 0.6680946 -0.2900514 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.853105516576037e-09 -2.572743606735912e-08 -3.678580217849296e-09 ] [ -2.956651977559756e-08 1.193386447055132e-08 -1.575855085945759e-08 ] [ -2.616735098931502e-09 -9.874119184481464e-09 1.840347417320246e-08 ] [ 1.132443269319063e-09 2.051406693759833e-08 5.847998819489783e-09 ] [ 1.905132422331799e-08 -1.930202416918702e-09 4.049679891547558e-09 ] [ 2.545994354810982e-09 4.013420712006908e-09 -8.399308395240267e-09 ] [ -3.996124894950048e-10 1.070405548602728e-09 -4.647135719103091e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 12.400244 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.986738102901548e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2842055 1.2882926 2.2886595 ] [ 1.1377722 3.2225432 1.5222392 ] [ 1.8937885 2.1100587 4.0174284 ] [ 2.99238 5.031747 3.3791293 ] [ 5.0267512 2.88474 2.7543357 ] [ 3.1642956 3.6894196 0.4808529 ] [ 4.15653 3.567494 4.8891918 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2842055e-10 1.2882926e-10 2.2886595e-10 ] [ 1.1377722e-10 3.2225432e-10 1.5222392e-10 ] [ 1.8937885e-10 2.1100587e-10 4.0174284e-10 ] [ 2.99238e-10 5.031747000000001e-10 3.3791293e-10 ] [ 5.026751199999999e-10 2.88474e-10 2.7543357e-10 ] [ 3.1642956e-10 3.6894196e-10 4.808529000000001e-11 ] [ 4.15653e-10 3.567494e-10 4.8891918e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.5704712 0.5634693 2.6788889 ] [ 1.1557478 2.2537939 -4.649365 ] [ 0.6480559 -2.8712442 -0.3293889 ] [ 0.5925215 -0.2173801 1.3060433 ] [ -1.1068089 -1.3449289 0.0753998 ] [ -3.304639 -0.2948805 0.8996655 ] [ 1.4446515 1.9111705 0.0187564 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.13995619479721e-10 9.027773389985413e-10 4.29205316530063e-09 ] [ 1.851712104701034e-09 3.610975894681653e-09 -7.449103904565792e-09 ] [ 1.038300011951503e-09 -4.600240329847599e-09 -5.277391947310291e-10 ] [ 9.493240946213472e-10 -3.482813140471661e-10 2.092512041012481e-09 ] [ -1.773303343273365e-09 -2.154813640218261e-09 1.208037967729958e-10 ] [ -5.294615345983891e-09 -4.724506430298144e-10 1.441423030640342e-09 ] [ 2.314586858503651e-09 3.062032693462647e-09 3.005106557037312e-11 ] ] } "relaxed-potential-energy" { "source-value" -14.8696 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.382372548064768e-18 } }