{ "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" [ [ 2.457406 2.100076 2.252169 ] [ 2.703043 4.198802 1.427674 ] [ 1.54274 3.831579 3.120531 ] [ 4.586348 2.503005 1.027399 ] [ 4.020521 2.853252 3.469677 ] [ 5.359849 4.671518 1.954564 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.457406e-10 2.100076e-10 2.252169e-10 ] [ 2.703043e-10 4.198802e-10 1.427674e-10 ] [ 1.54274e-10 3.831579e-10 3.120531e-10 ] [ 4.586348e-10 2.503005e-10 1.027399e-10 ] [ 4.020521e-10 2.853252e-10 3.469677e-10 ] [ 5.359849e-10 4.671518e-10 1.954564e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.8926512 -26.5318901 -1.0900217 ] [ -11.8873209 27.9609844 -25.4615911 ] [ -19.9631007 10.8608627 11.5483376 ] [ 15.0656267 -9.393403 -16.2671978 ] [ 21.0449459 -10.08264 31.3193135 ] [ 7.6325002 7.186086 -0.0488405 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.905412771196906e-08 -4.250877402385498e-08 -1.746407283904672e-09 ] [ -1.904558762992722e-08 4.479843550023352e-08 -4.079396598878936e-08 ] [ -3.198441322021611e-08 1.740102029965877e-08 1.850247651182558e-08 ] [ 2.413779487644025e-08 -1.504989067635258e-08 -2.60629240010892e-08 ] [ 3.371772030698082e-08 -1.615417008394291e-08 5.017907186920582e-08 ] [ 1.222861337869132e-08 1.151337898425819e-08 -7.82511072481824e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 16.129484 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.584228217036767e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.805587 1.7580549 2.661446 ] [ 2.8220211 5.356575 1.7339849 ] [ 1.3132137 3.5845174 2.2856347 ] [ 4.2884201 2.1698323 0.6932863 ] [ 4.49742 3.0205669 3.997776 ] [ 4.9432452 4.2686854 1.879886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.805587e-10 1.7580549e-10 2.661446e-10 ] [ 2.8220211e-10 5.356575e-10 1.7339849e-10 ] [ 1.3132137e-10 3.5845174e-10 2.2856347e-10 ] [ 4.2884201e-10 2.1698323e-10 6.932863e-11 ] [ 4.49742e-10 3.0205669e-10 3.997776e-10 ] [ 4.9432452e-10 4.2686854e-10 1.879886e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 6.2e-06 1.26e-05 ] [ 1.71e-05 2.49e-05 -1.32e-05 ] [ -6.7e-06 -2.21e-05 -1.27e-05 ] [ -1.21e-05 -3e-07 4e-07 ] [ 1.81e-05 -1.08e-05 -6.5e-06 ] [ -1.91e-05 2.1e-06 1.94e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-15 9.93349504896e-15 2.018742542208e-14 ] [ 2.739722021568e-14 3.989419785791999e-14 -2.114873139456e-14 ] [ -1.073458335936e-14 -3.540810331968e-14 -2.034764308416e-14 ] [ -1.938633711168e-14 -4.8065298624e-16 6.408706483200001e-16 ] [ 2.899939683648e-14 -1.730350750464e-14 -1.04141480352e-14 ] [ -3.060157345728e-14 3.36457090368e-15 3.108222644352e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.021911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.246557798313835e-18 } }