{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8052773 -0.7652498 -1.3284804 ] [ -1.616473 -0.3293598 5.7208617 ] [ -2.8965221 1.3599637 -1.2629529 ] [ -0.4845831 -6.0097362 -1.2807215 ] [ 2.1906121 -0.0553054 -4.0257421 ] [ -0.9773141 4.7702755 0.2668862 ] [ 5.5895576 1.0294121 1.9101492 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.892373084120948e-09 -1.226065338631876e-09 -2.128460238071032e-09 ] [ -2.589875248754439e-09 -5.276925713913638e-10 9.165830866570144e-09 ] [ -4.64073999025052e-09 2.178902045276665e-09 -2.02347360955156e-09 ] [ -7.763877136547884e-10 -9.628658836815432e-09 -2.051942045055907e-09 ] [ 3.509747491861592e-09 -8.860901888399233e-11 -6.449949873990296e-09 ] [ -1.565829802198193e-09 7.642823880875031e-09 4.27598830054153e-10 ] [ 8.955458507334958e-09 1.649299999788632e-09 3.060396390479823e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.786826 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.369110691303758e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0674824 2.3681392 1.7170872 ] [ 2.4455029 2.7215565 5.0247059 ] [ 1.3039881 3.9030089 3.3504455 ] [ 3.2227316 1.1595587 3.3623322 ] [ 4.0249379 3.6259139 1.4196909 ] [ 3.2477751 5.1881489 3.0818619 ] [ 4.688414 3.2100799 3.8682934 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0674824e-10 2.3681392e-10 1.7170872e-10 ] [ 2.4455029e-10 2.7215565e-10 5.0247059e-10 ] [ 1.3039881e-10 3.9030089e-10 3.3504455e-10 ] [ 3.2227316e-10 1.1595587e-10 3.3623322e-10 ] [ 4.024937900000001e-10 3.6259139e-10 1.4196909e-10 ] [ 3.2477751e-10 5.1881489e-10 3.0818619e-10 ] [ 4.688414e-10 3.210079900000001e-10 3.868293400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-06 2.3e-06 3.54e-05 ] [ -2.26e-05 2.32e-05 1.65e-05 ] [ 1.79e-05 -2.76e-05 -1.55e-05 ] [ -3.4e-06 -4.8e-06 1.41e-05 ] [ 4.08e-05 1.62e-05 -5.51e-05 ] [ -2.28e-05 2.18e-05 4.16e-05 ] [ -1.25e-05 -3.11e-05 -3.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.16565921408e-15 3.68500622784e-15 5.671705237632e-14 ] [ -3.620919163008e-14 3.717049760256e-14 2.64359142432e-14 ] [ 2.867896151232001e-14 -4.422007473408001e-14 -2.48337376224e-14 ] [ -5.44740051072e-15 -7.69044777984e-15 2.259069035328e-14 ] [ 6.536880612864e-14 2.595526125696e-14 -8.827993180608e-14 ] [ -3.652962695424e-14 3.492745033344e-14 6.665054742528e-14 ] [ -2.002720776e-14 -4.982769290688e-14 -5.912031730752001e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.320543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.93527456749611e-18 } }