{ "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" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.5582025 6.1883569 4.0190727 ] [ 6.2040996 -7.7307824 -3.5741758 ] [ -6.1981686 -1.0269144 -5.967183 ] [ -13.5791042 -5.128755 -28.7467439 ] [ -2.1906257 11.8254654 29.4161508 ] [ 3.1204877 -8.0990456 -0.2488972 ] [ 8.0851086 3.9716751 5.1017765 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.303045478372113e-09 9.914840746346363e-09 6.439264317235532e-09 ] [ 9.940063332234632e-09 -1.238607882177211e-08 -5.726460905389136e-09 ] [ -9.930560822696667e-09 -1.645298243242859e-09 -9.560481094635208e-09 ] [ -2.175612328064709e-08 -8.217171354811103e-09 -4.605736100070501e-08 ] [ -3.509769281463635e-09 1.894648419395932e-08 4.712986908568722e-08 ] [ 4.999572438433964e-09 -1.297610151111311e-08 -3.987772748225818e-10 ] [ 1.295377197554902e-08 6.363324990633502e-09 8.173947032846851e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.09832 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.783588435415706e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6907968 2.6603032 1.2240839 ] [ 3.341292 2.7065629 3.3311004 ] [ 1.9427887 4.2442348 2.5931562 ] [ 4.8090262 2.2397896 1.7522754 ] [ 5.3701545 3.5638287 3.4477891 ] [ 4.0233035 4.2977567 1.8628136 ] [ 3.5987232 4.802644 3.9674814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6907968e-10 2.6603032e-10 1.2240839e-10 ] [ 3.341292e-10 2.7065629e-10 3.3311004e-10 ] [ 1.9427887e-10 4.2442348e-10 2.5931562e-10 ] [ 4.809026200000001e-10 2.2397896e-10 1.7522754e-10 ] [ 5.3701545e-10 3.5638287e-10 3.4477891e-10 ] [ 4.0233035e-10 4.2977567e-10 1.8628136e-10 ] [ 3.5987232e-10 4.802644e-10 3.9674814e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.21e-05 -5.5e-06 -3.14e-05 ] [ 4.6e-06 1.38e-05 1.26e-05 ] [ 7.9e-06 -3.78e-05 -2.43e-05 ] [ -5.03e-05 2.07e-05 1.58e-05 ] [ 3.32e-05 1.31e-05 1.79e-05 ] [ 1.16e-05 6.6e-06 1e-07 ] [ 1.5e-05 -1.09e-05 9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.540810331968e-14 -8.8119714144e-15 -5.030834589312e-14 ] [ 7.370012455680001e-15 2.211003736704e-14 2.018742542208e-14 ] [ 1.265719530432e-14 -6.056227626623999e-14 -3.893289188544e-14 ] [ -8.058948402624e-14 3.316505605055999e-14 2.531439060864e-14 ] [ 5.319226381056e-14 2.098851373248e-14 2.867896151232001e-14 ] [ 1.858524880128e-14 1.057436569728e-14 1.6021766208e-16 ] [ 2.4032649312e-14 -1.746372516672e-14 1.490024257344e-14 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }