{ "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" [ [ 3.032432 2.348999 1.593337 ] [ 4.810482 1.062628 3.508091 ] [ 5.121871 3.223017 1.668157 ] [ 3.284691 4.649431 1.699114 ] [ 3.943916 3.285754 3.641374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.032432e-10 2.348999e-10 1.593337e-10 ] [ 4.810482000000001e-10 1.062628e-10 3.508091e-10 ] [ 5.121871e-10 3.223017e-10 1.668157e-10 ] [ 3.284691e-10 4.649431e-10 1.699114e-10 ] [ 3.943916e-10 3.285754e-10 3.641374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.6569373 -4.9672152 -1.8245624 ] [ 0.4323419 -0.0190845 -0.4881846 ] [ 7.5441552 -0.9592982 -2.4470765 ] [ -2.236263 5.3131608 -0.8792684 ] [ -1.0832968 0.6324371 5.6390918 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.461236128063048e-09 -7.958356129489636e-09 -2.923271244554962e-09 ] [ 6.926880900791645e-10 -3.0576739971573e-11 -7.821579591986364e-10 ] [ 1.208706918470959e-08 -1.536965161078259e-09 -3.920648789910501e-09 ] [ -3.582888326078742e-09 8.512622086444747e-09 -1.408743285494565e-09 ] [ -1.735632820646971e-09 1.013275944094721e-09 9.034821118940999e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8766736 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.101764576156466e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4227876 2.0585821 2.0059915 ] [ 4.8151813 1.6707929 2.8459589 ] [ 5.908776 3.2666105 1.4150895 ] [ 3.7356833 4.2464284 1.7431167 ] [ 3.3109637 3.3274151 4.0999164 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4227876e-10 2.0585821e-10 2.0059915e-10 ] [ 4.815181300000001e-10 1.6707929e-10 2.8459589e-10 ] [ 5.908776e-10 3.2666105e-10 1.4150895e-10 ] [ 3.7356833e-10 4.2464284e-10 1.7431167e-10 ] [ 3.3109637e-10 3.3274151e-10 4.0999164e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-06 -3e-06 1.9e-06 ] [ -6.6e-06 -1.9e-06 5.7e-06 ] [ 2.2e-06 7.1e-06 -5.1e-06 ] [ 5.2e-06 -1e-07 1.7e-06 ] [ 1.2e-06 -2.1e-06 -4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.364570931399999e-15 -4.806529901999999e-15 3.0441356046e-15 ] [ -1.05743657844e-14 -3.0441356046e-15 9.1324068138e-15 ] [ 3.5247885948e-15 1.13754541014e-14 -8.1711008334e-15 ] [ 8.331318496799998e-15 -1.602176634e-16 2.7237002778e-15 ] [ 1.9226119608e-15 -3.364570931399999e-15 -6.8893595262e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.744302 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.721426961303947e-18 } }