{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.570107 3.7360166 -2.1191035 ] [ -1.1887623 -2.6251601 -0.4236292 ] [ 2.4186701 -2.8862926 -4.6007194 ] [ -6.9709726 -2.5989347 0.0597028 ] [ 8.5271087 0.056628 4.0331555 ] [ -0.8411675 0.2941098 2.2361373 ] [ 1.6252305 4.0236329 0.8144566 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.719941969154426e-09 5.985758451440705e-09 -3.395178084755453e-09 ] [ -1.904607164748436e-09 -4.20597013807699e-09 -6.787288001282073e-10 ] [ 3.875136687647998e-09 -4.624350524508046e-09 -7.371165061541004e-09 ] [ -1.116872932395739e-08 -4.163952415325862e-09 9.565443035629825e-11 ] [ 1.366193420216028e-08 9.072805768266239e-11 6.461827450150935e-09 ] [ -1.347698902676784e-09 4.712158455081639e-10 3.582686902958836e-09 ] [ 2.603906310511094e-09 6.446570563061705e-09 1.304903323176257e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.5771977 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.534436224771953e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6178165 3.4014704 2.8246394 ] [ 4.8991839 2.7024063 2.0814364 ] [ 3.553179 1.0540259 1.5217051 ] [ 5.7291263 1.5610478 5.1336094 ] [ 3.8530146 2.3965759 4.3431848 ] [ 2.3185056 4.3899836 0.8816976 ] [ 5.5892801 4.5065282 3.1351369 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6178165e-10 3.4014704e-10 2.8246394e-10 ] [ 4.8991839e-10 2.7024063e-10 2.0814364e-10 ] [ 3.553179e-10 1.0540259e-10 1.5217051e-10 ] [ 5.7291263e-10 1.5610478e-10 5.1336094e-10 ] [ 3.8530146e-10 2.3965759e-10 4.343184800000001e-10 ] [ 2.3185056e-10 4.3899836e-10 8.816976e-11 ] [ 5.5892801e-10 4.5065282e-10 3.1351369e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0988388 0.0782634 -0.0787662 ] [ 0.0175829 -0.0362737 -0.0035102 ] [ 0.0218441 -0.0077205 -0.0184721 ] [ -0.0358221 -0.0066502 0.0345158 ] [ 0.1164273 -0.0648982 0.0744397 ] [ -0.0551393 0.0157695 -0.0062883 ] [ 0.0339458 0.0215097 -0.0019189 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.58357214587927e-10 1.253917897443187e-10 -1.26197364149257e-10 ] [ 2.817091130586432e-11 -5.811687408991296e-11 -5.623960374332161e-12 ] [ 3.499810632241728e-11 -1.23696046008864e-11 -2.959556675707969e-11 ] [ -5.739333112795968e-11 -1.065479496364416e-11 5.530040780820864e-11 ] [ 1.865370980828679e-10 -1.039783787720026e-10 1.192655469993657e-10 ] [ -8.834289734727745e-11 2.52655242217056e-11 -1.007496724457664e-11 ] [ 5.438716713435264e-11 3.446233846042176e-11 -3.07441671765312e-12 ] ] } "relaxed-potential-energy" { "source-value" -14.037282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.249020503997666e-18 } }