{ "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" [ [ 0.2973138 0.0992835 1.535424 ] [ 0.4571454 2.256303 0.112609 ] [ 1.021874 2.429871 2.604005 ] [ 1.808416 0.4621254 0.960442 ] [ 2.7331 1.011411 2.670813 ] [ 2.623171 2.959224 2.230467 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.973138000000001e-11 9.92835e-12 1.535424e-10 ] [ 4.571454e-11 2.256303e-10 1.12609e-11 ] [ 1.021874e-10 2.429871e-10 2.604005e-10 ] [ 1.808416e-10 4.621254e-11 9.60442e-11 ] [ 2.7331e-10 1.011411e-10 2.670813e-10 ] [ 2.623171e-10 2.959224e-10 2.230467e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.7191378 -6.1421716 4.8992946 ] [ -0.548732 1.9368496 -0.8468455 ] [ -16.246962 2.6885772 4.9255534 ] [ 13.7223831 -3.0461417 -11.6655316 ] [ 7.6847808 -6.3679663 5.5807444 ] [ 12.1076679 10.9308526 -2.8932154 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.678701170309355e-08 -9.84084373846173e-09 7.849535266531688e-09 ] [ -8.791655814848255e-10 3.103175147125832e-09 -1.356796061529686e-09 ] [ -2.603050267542601e-08 4.307575533055926e-09 7.89160650198195e-09 ] [ 2.198568138448103e-08 -4.880457015383969e-09 -1.869024199872362e-08 ] [ 1.231237613373272e-08 -1.020260672790228e-08 8.941338204340523e-09 ] [ 1.939862244179063e-08 1.751315648113089e-08 -4.635442072818521e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.28799999 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.614268507686338e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.5316477 0.2111507 2.4719023 ] [ 1.2579446 2.5598968 0.2051228 ] [ 0.0517035 2.4378901 2.3270754 ] [ 1.7378854 0.3331609 0.3499303 ] [ 2.920893 0.7246905 2.4522656 ] [ 2.440946 2.9514289 2.3074637 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.316476999999999e-11 2.111507e-11 2.4719023e-10 ] [ 1.2579446e-10 2.5598968e-10 2.051228e-11 ] [ 5.17035e-12 2.4378901e-10 2.3270754e-10 ] [ 1.7378854e-10 3.331609e-11 3.499303e-11 ] [ 2.920893e-10 7.246905e-11 2.4522656e-10 ] [ 2.440946e-10 2.9514289e-10 2.3074637e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.61e-05 -1.28e-05 -4.24e-05 ] [ 5.7e-06 3.04e-05 -0.0 ] [ -1.02e-05 -9e-06 2.01e-05 ] [ 1e-07 -5.99e-05 4.81e-05 ] [ -5.33e-05 -4.3e-06 -3.15e-05 ] [ 3.16e-05 5.55e-05 5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.181680980288e-14 -2.050786074624e-14 -6.793228872192001e-14 ] [ 9.13240673856e-15 4.870616927232e-14 0.0 ] [ -1.634220153216e-14 -1.44195895872e-14 3.220375007808e-14 ] [ 1.6021766208e-16 -9.597037958592001e-14 7.706469546047999e-14 ] [ -8.539601388864e-14 -6.889359469440001e-15 -5.04685635552e-14 ] [ 5.062878121728e-14 8.892080245440001e-14 9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }