{ "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" [ [ 2.327038 2.33879 1.333944 ] [ 3.095823 1.457233 3.921802 ] [ 1.16952 4.791902 2.053879 ] [ 1.997895 3.950607 4.032131 ] [ 4.742513 1.791132 2.167365 ] [ 3.563011 4.139404 2.001972 ] [ 4.473125 3.165685 4.251983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.327038e-10 2.33879e-10 1.333944e-10 ] [ 3.095823e-10 1.457233e-10 3.921802e-10 ] [ 1.16952e-10 4.791902e-10 2.053879e-10 ] [ 1.997895e-10 3.950607e-10 4.032131e-10 ] [ 4.742513e-10 1.791132e-10 2.167365e-10 ] [ 3.563011e-10 4.139404e-10 2.001972e-10 ] [ 4.473124999999999e-10 3.165685e-10 4.251983e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3348938 -0.4063368 5.389109 ] [ -4.9103729 2.0696054 -4.2532231 ] [ -0.2293352 -2.0279593 -2.185016 ] [ 2.7657215 -3.441632 1.7237631 ] [ -0.657867 0.819348 -1.7030204 ] [ 2.820928 -0.1104403 1.3415988 ] [ -0.1239681 3.097415 -0.3132114 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.36559016810871e-10 -6.510233211306855e-10 8.634304446742869e-09 ] [ -7.867284659789897e-09 3.315873386161432e-09 -6.8144146138665e-09 ] [ -3.674354957664921e-10 -3.249148978393934e-09 -3.500781551273933e-09 ] [ 4.431174326943907e-09 -5.514102327797146e-09 2.761772938617733e-09 ] [ -1.054019126995834e-09 1.312740209899239e-09 -2.728539469625465e-09 ] [ 4.519624890560103e-09 -1.769448666541383e-10 2.149478231853335e-09 ] [ -1.986187915449965e-10 4.962605897915231e-09 -5.01819982448037e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.8098 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.654532828512384e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.155379 2.3592338 1.7566206 ] [ 2.9688475 1.3177204 3.8961828 ] [ 1.2381228 4.7570449 1.7608561 ] [ 2.0934399 3.6750435 3.926173 ] [ 4.6161912 1.9511107 2.0760474 ] [ 3.7426212 4.3091414 2.1040111 ] [ 4.5543234 3.2654581 4.243185 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.155379e-10 2.3592338e-10 1.7566206e-10 ] [ 2.9688475e-10 1.3177204e-10 3.8961828e-10 ] [ 1.2381228e-10 4.757044900000001e-10 1.7608561e-10 ] [ 2.0934399e-10 3.6750435e-10 3.926173e-10 ] [ 4.616191200000001e-10 1.9511107e-10 2.0760474e-10 ] [ 3.7426212e-10 4.3091414e-10 2.1040111e-10 ] [ 4.5543234e-10 3.2654581e-10 4.243185000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.2e-06 -6.3e-06 -4.2e-06 ] [ -9.1e-06 1.46e-05 8.7e-06 ] [ 8.3e-06 4.6e-06 1.41e-05 ] [ 2.1e-06 -2.5e-06 -1.17e-05 ] [ 1.95e-05 1.8e-05 -8.1e-06 ] [ -1.03e-05 -2.21e-05 -5.4e-06 ] [ -2.3e-06 -6.3e-06 6.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.313784829056e-14 -1.009371271104e-14 -6.72914180736e-15 ] [ -1.457980724928e-14 2.339177866368e-14 1.393893660096e-14 ] [ 1.329806595264e-14 7.370012455680001e-15 2.259069035328e-14 ] [ 3.36457090368e-15 -4.005441552e-15 -1.874546646336e-14 ] [ 3.12424441056e-14 2.88391791744e-14 -1.297763062848e-14 ] [ -1.650241919424e-14 -3.540810331968e-14 -8.65175375232e-15 ] [ -3.68500622784e-15 -1.009371271104e-14 1.057436569728e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.837867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.139682643873984e-18 } }