{ "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" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4092537 -3.1775819 1.1014911 ] [ -3.9475156 -0.6363878 -3.9726497 ] [ -5.8167612 10.9655934 9.9590536 ] [ 15.2819705 -29.1247406 -30.8892394 ] [ 1.12696 0.4640096 35.3685511 ] [ -2.2354 21.5091074 -11.5672067 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.064403193315897e-09 -5.091047430857243e-09 1.764783288439275e-09 ] [ -6.324617204563284e-09 -1.019605654922346e-09 -6.364886471968134e-09 ] [ -9.319478803416555e-09 1.756881737867878e-08 1.595616284321408e-08 ] [ 2.448441585485529e-08 -4.666297847618456e-08 -4.949001720097422e-08 ] [ 1.805588964576768e-09 7.434253329467597e-10 5.666666568399012e-08 ] [ -3.58150561813632e-09 3.446138901055628e-08 -1.853270814270112e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.517602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.646411575607932e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.196454 0.643023 1.8566853 ] [ -0.2444514 1.9003729 0.3713239 ] [ 1.1550801 3.2283293 3.0691175 ] [ 3.0980654 0.7575043 1.0704376 ] [ 2.8641915 0.9293546 3.1195876 ] [ 2.6217137 2.7457336 -0.0336357 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.96454e-11 6.430230000000001e-11 1.8566853e-10 ] [ -2.444514e-11 1.9003729e-10 3.713239e-11 ] [ 1.1550801e-10 3.2283293e-10 3.0691175e-10 ] [ 3.0980654e-10 7.575043e-11 1.0704376e-10 ] [ 2.8641915e-10 9.293546000000001e-11 3.1195876e-10 ] [ 2.6217137e-10 2.7457336e-10 -3.36357e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.648138 -0.5911792 -0.4251887 ] [ -2.166443 0.9087525 -0.5523457 ] [ 2.0022181 -1.8356792 0.7254694 ] [ 0.6604064 2.8526465 -1.3665667 ] [ -2.0236174 2.8246635 -0.6513068 ] [ 0.8792979 -4.1592043 2.2699384 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.03843155065207e-09 -9.471734929432474e-10 -6.812273945683449e-10 ] [ -3.471024324895815e-09 1.455982009593552e-09 -8.849553671394106e-10 ] [ 3.207907029562596e-09 -2.941082297528847e-09 1.162330111785804e-09 ] [ 1.058087694306693e-09 4.570443529706948e-09 -2.189481217503807e-09 ] [ -3.242192487724082e-09 4.525609821327101e-09 -1.043508527928061e-09 ] [ 1.408790538098536e-09 -6.663779890590829e-09 3.636842235136159e-09 ] ] } "relaxed-potential-energy" { "source-value" -18.721134 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.999456320966399e-18 } }