{ "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" [ [ 1.993524 1.997967 0.9576204 ] [ 2.385878 2.876706 2.947868 ] [ 2.853087 4.16342 1.184171 ] [ 3.781435 0.9707609 1.823891 ] [ 5.674201 1.959984 2.894152 ] [ 4.915062 3.13192 0.9889037 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.993524e-10 1.997967e-10 9.576204e-11 ] [ 2.385878e-10 2.876706e-10 2.947868e-10 ] [ 2.853087e-10 4.16342e-10 1.184171e-10 ] [ 3.781435e-10 9.707609000000001e-11 1.823891e-10 ] [ 5.674201e-10 1.959984e-10 2.894152e-10 ] [ 4.915062e-10 3.13192e-10 9.889037000000001e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1054126 2.9612799 0.2910079 ] [ 3.6763504 -2.1029866 -2.2122641 ] [ 1.6465027 -5.4943861 0.1633035 ] [ 1.8510007 8.0833107 1.5175087 ] [ -5.143456 0.5704331 -4.6313186 ] [ -5.1358104 -4.017651 4.8717625 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.975419465657743e-09 4.744493423424962e-09 4.662460538481043e-10 ] [ 5.890162660748728e-09 -3.369355964375681e-09 -3.544437820055154e-09 ] [ 2.637988132024076e-09 -8.802976955068491e-09 2.616410497948128e-10 ] [ 2.965630046624435e-09 1.295089142220248e-08 2.431316961000601e-09 ] [ -8.240724953313484e-09 9.139345765504685e-10 -7.420190384396187e-09 ] [ -8.228475351741498e-09 -6.436986502733741e-09 7.805423979590161e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.74099 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.444596561584659e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3041413 2.1550163 0.8496678 ] [ 3.0992659 2.7586348 2.8279468 ] [ 2.7651326 4.2851217 1.2672007 ] [ 3.798007 0.8832138 1.8767821 ] [ 5.2286321 2.1878175 2.9609896 ] [ 4.408008 2.8309538 1.0140191 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3041413e-10 2.1550163e-10 8.496678e-11 ] [ 3.0992659e-10 2.7586348e-10 2.8279468e-10 ] [ 2.7651326e-10 4.285121700000001e-10 1.2672007e-10 ] [ 3.798007e-10 8.832138000000001e-11 1.8767821e-10 ] [ 5.2286321e-10 2.1878175e-10 2.9609896e-10 ] [ 4.408008e-10 2.8309538e-10 1.0140191e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0002 -1.42e-05 -8.7e-05 ] [ -0.0001414 3.83e-05 8.85e-05 ] [ 0.0002139 -2.73e-05 8.9e-05 ] [ -3.81e-05 -0.0004172 -9.6e-06 ] [ 6.28e-05 0.0002574 -8.5e-06 ] [ 0.0001029 0.0001631 -7.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-13 -2.275090801536e-14 -1.393893660096e-13 ] [ -2.2654777418112e-13 6.136336457664001e-14 1.417926309408e-13 ] [ 3.4270557918912e-13 -4.373942174784e-14 1.425937192512e-13 ] [ -6.104292925248e-14 -6.6842808619776e-13 -1.538089555968e-14 ] [ 1.0061669178624e-13 4.124002621939201e-13 -1.36185012768e-14 ] [ 1.6486397428032e-13 2.6131500685248e-13 -1.1599758734592e-13 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }