{ "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" [ [ 1.137834 0.6178187 0.8180482 ] [ 0.8147489 0.2195668 2.521416 ] [ 0.6602072 2.742467 0.5700192 ] [ 2.747217 2.135327 0.0253318 ] [ 2.249122 2.278269 1.668886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.137834e-10 6.178187000000001e-11 8.180482000000001e-11 ] [ 8.147489e-11 2.195668e-11 2.521416e-10 ] [ 6.602072e-11 2.742467e-10 5.700191999999999e-11 ] [ 2.747217e-10 2.135327e-10 2.53318e-12 ] [ 2.249122e-10 2.278269e-10 1.668886e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 10.1488041 -3.8263005 -79.1651315 ] [ -16.9107994 -21.3712909 79.8644077 ] [ -34.4494343 21.8703569 -17.2997334 ] [ 39.6027755 -7.7212906 -102.7788318 ] [ 1.608654 11.048525 119.379289 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.626017665809919e-08 -6.13040920525535e-09 -1.268365228718577e-07 ] [ -2.709408743771866e-08 -3.424058263629579e-08 1.279568868509795e-07 ] [ -5.519407823524562e-08 3.504017451373197e-08 -2.77172283995529e-08 ] [ 6.345064102489103e-08 -1.23708712817228e-08 -1.646698414230956e-07 ] [ 2.577347829756404e-09 1.770168844932432e-08 1.912667058435266e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 40.478496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.485369993634632e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8965032 0.4959287 0.4076749 ] [ 1.1567411 0.0335857 2.9188194 ] [ 0.4989503 3.1195905 0.2458613 ] [ 2.9941565 2.0046189 -0.2180286 ] [ 2.0627779 2.3397246 2.2493742 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.965032e-11 4.959287e-11 4.076749e-11 ] [ 1.1567411e-10 3.35857e-12 2.9188194e-10 ] [ 4.989503e-11 3.1195905e-10 2.458613e-11 ] [ 2.9941565e-10 2.0046189e-10 -2.180286e-11 ] [ 2.0627779e-10 2.3397246e-10 2.2493742e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.62e-05 -4.5e-06 1.34e-05 ] [ 6e-07 -1.01e-05 1.6e-05 ] [ 8e-06 4.7e-06 -2.05e-05 ] [ 6.3e-06 2.77e-05 -3.6e-06 ] [ 1.4e-06 -1.78e-05 -5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.595526125696e-14 -7.2097947936e-15 2.146916671872e-14 ] [ 9.6130597248e-16 -1.618198387008e-14 2.56348259328e-14 ] [ 1.28174129664e-14 7.53023011776e-15 -3.28446207264e-14 ] [ 1.009371271104e-14 4.438029239616e-14 -5.76783583488e-15 ] [ 2.24304726912e-15 -2.851874385024e-14 -8.491536090240001e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.801245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.53163853185329e-18 } }