{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8738846 -4.9576708 -5.8132472 ] [ -7.0908537 -11.746904 5.2249124 ] [ -1.541111 3.7276337 -0.8507086 ] [ -4.0588282 3.7631206 0.4500405 ] [ 2.0601059 -2.339063 -0.20569 ] [ -0.310926 2.135815 -1.9767248 ] [ 11.8154975 9.4170685 3.1714177 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.400117486932436e-09 -7.943064314824085e-09 -9.313848831505924e-09 ] [ -1.136080011325244e-08 -1.882061511064113e-08 8.37123256197686e-09 ] [ -2.469132034600374e-09 5.972327614250965e-09 -1.362985441262852e-09 ] [ -6.502959703460278e-09 6.02918389624406e-09 7.210443734536769e-10 ] [ 3.30065353654554e-09 -3.747592084053941e-09 -3.2955171184746e-10 ] [ -4.981583721030839e-10 3.421952887546709e-09 -3.167062286408323e-09 ] [ 1.893051401358541e-08 1.508780711147742e-08 5.081171335594022e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.193747 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.63321832563076e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0512045 1.1527617 3.2304089 ] [ 2.2636088 2.0460546 5.3860929 ] [ 3.1433041 3.6562743 3.2740573 ] [ 0.8803118 3.6856426 4.2078841 ] [ 3.9814479 1.4207225 1.0440401 ] [ 4.0456182 3.7778483 1.078058 ] [ 4.1796607 3.563153 5.4883783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0512045e-10 1.1527617e-10 3.2304089e-10 ] [ 2.2636088e-10 2.0460546e-10 5.386092900000001e-10 ] [ 3.1433041e-10 3.6562743e-10 3.2740573e-10 ] [ 8.803118e-11 3.6856426e-10 4.207884100000001e-10 ] [ 3.9814479e-10 1.4207225e-10 1.0440401e-10 ] [ 4.0456182e-10 3.7778483e-10 1.078058e-10 ] [ 4.1796607e-10 3.563153e-10 5.4883783e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0054923 -0.042791 0.0023317 ] [ -0.0108291 -0.0110793 0.0181305 ] [ 0.0091217 0.0392922 -0.0145147 ] [ 0.0036865 0.005689 -0.0044888 ] [ -0.0024589 0.0027413 -0.0028299 ] [ -0.0040725 0.0044572 0.0027367 ] [ -0.00094 0.0016907 -0.0013654 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.7996347269182e-12 -6.8558740345494e-11 3.735795257497799e-12 ] [ -1.73501309872494e-11 -1.77509955810762e-11 2.9048263462737e-11 ] [ 1.46145746023578e-11 6.295304473845479e-11 -2.32551131895198e-11 ] [ 5.906424161241e-12 9.114782870825999e-12 -7.1918504746992e-12 ] [ -3.939592125342599e-12 4.3920468067842e-12 -4.5339996565566e-12 ] [ -6.524864341964999e-12 7.141221693064799e-12 4.3846767942678e-12 ] [ -1.50604603596e-12 2.7088000351038e-12 -2.1876119760636e-12 ] ] } "relaxed-potential-energy" { "source-value" -17.186526 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.753585037683348e-18 } }