{ "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" [ [ 0.7742052 0.6824645 0.5764372 ] [ 0.6127639 2.971614 0.4436307 ] [ 0.405499 2.567939 2.589337 ] [ 2.552542 1.167694 2.901906 ] [ 2.397264 1.657583 0.5767519 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.742052e-11 6.824645e-11 5.764372e-11 ] [ 6.127639e-11 2.971614e-10 4.436307e-11 ] [ 4.05499e-11 2.567939e-10 2.589337e-10 ] [ 2.552542e-10 1.167694e-10 2.901906e-10 ] [ 2.397264e-10 1.657583e-10 5.767519e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -25.2674417 -28.5016002 -3.0067798 ] [ -2.6892839 13.1778439 -4.9703074 ] [ -2.0620638 2.048779 7.6090911 ] [ 1.0560876 0.303627 0.4976017 ] [ 28.9627018 12.9713503 -0.1296056 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.048290469269723e-08 -4.566459787204972e-08 -4.817392339143193e-09 ] [ -4.308707826772392e-09 2.111323358307943e-08 -7.963310380077292e-09 ] [ -3.303790438177248e-09 3.282505842029886e-09 1.219110796639736e-08 ] [ 1.692038876177138e-09 4.86464084851518e-10 7.972458167786778e-10 ] [ 4.640336408146974e-08 2.078239436208889e-08 -2.076510639555504e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -2.3738651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.803351195488073e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.9661423 -0.4014013 -0.2182663 ] [ 0.562579 3.3951294 0.5879483 ] [ 0.669756 3.2437571 3.1657087 ] [ 2.3574852 1.2927325 3.0098266 ] [ 2.1863115 1.5170768 0.5428456 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.661423e-11 -4.014013e-11 -2.182663e-11 ] [ 5.62579e-11 3.3951294e-10 5.879483e-11 ] [ 6.69756e-11 3.2437571e-10 3.1657087e-10 ] [ 2.3574852e-10 1.2927325e-10 3.0098266e-10 ] [ 2.1863115e-10 1.5170768e-10 5.428456000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.5e-05 1.8e-06 1.44e-05 ] [ -3.2e-06 -3.5e-06 1.9e-05 ] [ -2.13e-05 1.05e-05 5.6e-06 ] [ -5.2e-06 -3e-06 -5e-06 ] [ 4.47e-05 -5.9e-06 -3.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.403264951e-14 2.8839179412e-15 2.30713435296e-14 ] [ -5.1269652288e-15 -5.607618218999999e-15 3.0441356046e-14 ] [ -3.41263623042e-14 1.6822854657e-14 8.972189150399999e-15 ] [ -8.331318496799998e-15 -4.806529901999999e-15 -8.010883169999999e-15 ] [ 7.16172955398e-14 -9.452842140600001e-15 -5.431378789259999e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.90107 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.227196954159838e-18 } }