{ "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" [ [ 3.9646883 -4.274413 0.2131479 ] [ -4.8113097 5.0246022 -3.5563975 ] [ 1.0386483 -0.7485781 2.8472899 ] [ -0.0291468 0.6031844 0.9545158 ] [ 0.5139419 -0.5306502 -0.2240227 ] [ 0.0758839 -0.2268138 1.2092799 ] [ -0.7527059 0.1526686 -1.4438133 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.352130903019297e-09 -6.848364576243591e-09 3.415005821526163e-10 ] [ -7.70856791676826e-09 8.050300173660246e-09 -5.697976928771569e-09 ] [ 1.664098023493665e-09 -1.199354330662884e-09 4.56186131041997e-09 ] [ -4.669832153113344e-11 9.664079437112754e-10 1.529302898944209e-09 ] [ 8.234256966295314e-10 -8.501953442628441e-10 -3.589239324684922e-10 ] [ 1.215794104751251e-10 -3.63395767634807e-10 1.937479983783362e-09 ] [ -1.205967795318223e-09 2.446020616502669e-10 -2.313243914060097e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.686606158928928 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.110947439533218e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.0805058 1.4561543 1.9485058 ] [ 1.290533 3.1613055 1.913786 ] [ 2.1324095 2.3352004 4.0041058 ] [ 2.8846403 4.6469197 3.0602305 ] [ 4.8384325 2.9608632 2.6851536 ] [ 3.4265029 3.6551626 0.8726832 ] [ 4.002699 3.5786893 4.8473717 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0805058e-10 1.4561543e-10 1.9485058e-10 ] [ 1.290533e-10 3.1613055e-10 1.913786e-10 ] [ 2.1324095e-10 2.3352004e-10 4.0041058e-10 ] [ 2.8846403e-10 4.6469197e-10 3.0602305e-10 ] [ 4.8384325e-10 2.9608632e-10 2.6851536e-10 ] [ 3.4265029e-10 3.6551626e-10 8.726832e-11 ] [ 4.002699e-10 3.5786893e-10 4.8473717e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 8.9e-06 3.2e-06 ] [ 3e-07 -3e-06 -2.3e-06 ] [ 2.2e-06 -6e-07 -5e-06 ] [ -3.8e-06 2.4e-06 -4e-07 ] [ -5.1e-06 -3.9e-06 -1.7e-06 ] [ 1.1e-06 -3.4e-06 -3e-07 ] [ 5.7e-06 -4e-07 6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 1.425937192512e-14 5.126965186560001e-15 ] [ 4.8065298624e-16 -4.8065298624e-15 -3.68500622784e-15 ] [ 3.52478856576e-15 -9.6130597248e-16 -8.010883104e-15 ] [ -6.08827115904e-15 3.84522388992e-15 -6.408706483200001e-16 ] [ -8.17110076608e-15 -6.24848882112e-15 -2.72370025536e-15 ] [ 1.76239428288e-15 -5.44740051072e-15 -4.8065298624e-16 ] [ 9.13240673856e-15 -6.408706483200001e-16 1.04141480352e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.103202158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298276105265201e-18 } }