{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.03068 2.305251 2.057253 ] [ 2.579116 2.417689 4.578894 ] [ 0.1076423 2.252956 3.524492 ] [ 1.371288 4.166573 3.55215 ] [ 3.675708 3.460848 3.322007 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.03068e-10 2.305251e-10 2.057253e-10 ] [ 2.579116e-10 2.417689e-10 4.578894e-10 ] [ 1.076423e-11 2.252956e-10 3.524492e-10 ] [ 1.371288e-10 4.166573e-10 3.55215e-10 ] [ 3.675708000000001e-10 3.460848e-10 3.322007e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0929369 -13.4728223 -28.3481254 ] [ 9.8227906 -13.2519795 28.3465426 ] [ -16.1856144 -6.1903504 0.4680091 ] [ -14.921229 25.9943528 3.5265539 ] [ 21.3769897 6.9207994 -3.9929802 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.489013283896275e-10 -2.158584090525288e-08 -4.541870375938665e-08 ] [ 1.573784545033401e-08 -2.123201173422087e-08 4.541616783423125e-08 ] [ -2.593221298496382e-08 -9.918034685439928e-09 7.498332383416493e-10 ] [ -2.390644425740296e-08 4.164754432898702e-08 5.650162210571061e-09 ] [ 3.424971312042241e-08 1.108834299592667e-08 -6.397459523757308e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 13.851744 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.219294039410668e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0917812 2.0377534 1.646589 ] [ 2.5825039 1.9901895 5.030389 ] [ 0.4226477 2.2560961 3.619535 ] [ 1.1843756 4.7340474 3.5438993 ] [ 3.4831259 3.5852307 3.1943836 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0917812e-10 2.0377534e-10 1.646589e-10 ] [ 2.5825039e-10 1.9901895e-10 5.030389e-10 ] [ 4.226477000000001e-11 2.2560961e-10 3.619535e-10 ] [ 1.1843756e-10 4.7340474e-10 3.5438993e-10 ] [ 3.4831259e-10 3.5852307e-10 3.1943836e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 -0.0 7e-07 ] [ 8e-07 -2.5e-06 2e-06 ] [ 1.17e-05 4.2e-06 -2.6e-06 ] [ -1e-06 2.9e-06 -7e-07 ] [ -1.11e-05 -4.7e-06 6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 0.0 1.12152363456e-15 ] [ 1.28174129664e-15 -4.005441552e-15 3.2043532416e-15 ] [ 1.874546646336e-14 6.72914180736e-15 -4.16565921408e-15 ] [ -1.6021766208e-15 4.646312200320001e-15 -1.12152363456e-15 ] [ -1.778416049088e-14 -7.53023011776e-15 9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -8.8977283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.425573226049053e-18 } }