{ "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" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 18.4736063 -236.3465929 352.9979029 ] [ -306.1336358 385.5818344 -282.4904027 ] [ 16.8212798 -190.6281189 22.056576 ] [ -41.5431304 25.7169805 -55.1184763 ] [ 306.7650149 -33.224321 48.0158995 ] [ 5.6168651 48.9002178 -85.4614994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.959798011572359e-08 -3.786689855501152e-07 5.655649872178086e-07 ] [ -4.904801541192618e-07 6.177702004808572e-07 -4.525995188063173e-07 ] [ 2.69506612274953e-08 -3.054199153686626e-07 3.533853040209838e-08 ] [ -6.655943228172575e-08 4.12031449146695e-08 -8.830953410197888e-08 ] [ 4.914917349521437e-07 -5.323123034815449e-08 7.692995160558242e-08 ] [ 8.999209945407454e-09 7.834678571118802e-08 -1.369244163171932e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 127.74961 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.046774384583179e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.0146269 0.6110264 0.877566 ] [ -0.021499 3.6315124 0.2224206 ] [ 0.0439841 2.9491561 3.0253966 ] [ 1.905489 -0.2827573 2.7926098 ] [ 2.562032 2.3462297 0.2192684 ] [ 2.77987 2.40755 2.999177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.46269e-12 6.110264e-11 8.77566e-11 ] [ -2.1499e-12 3.6315124e-10 2.224206e-11 ] [ 4.39841e-12 2.9491561e-10 3.0253966e-10 ] [ 1.905489e-10 -2.827573e-11 2.7926098e-10 ] [ 2.562032e-10 2.3462297e-10 2.192684e-11 ] [ 2.77987e-10 2.40755e-10 2.999177e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.48e-05 -2.7e-06 3.5e-05 ] [ 1.4e-05 -1.08e-05 -1.55e-05 ] [ 3.5e-06 -6.3e-06 2.42e-05 ] [ -3.66e-05 -1e-06 -3.52e-05 ] [ -4.3e-06 3.9e-06 1.55e-05 ] [ -1.14e-05 1.7e-05 -2.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.575574640383999e-14 -4.32587687616e-15 5.6076181728e-14 ] [ 2.24304726912e-14 -1.730350750464e-14 -2.48337376224e-14 ] [ 5.6076181728e-15 -1.009371271104e-14 3.877267422336e-14 ] [ -5.863966432128e-14 -1.6021766208e-15 -5.639661705216e-14 ] [ -6.889359469440001e-15 6.24848882112e-15 2.48337376224e-14 ] [ -1.826481347712e-14 2.72370025536e-14 -3.829202123712e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.337879 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.457399114645928e-18 } }