{ "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" [ [ 1.697876 3.711698 1.143091 ] [ 3.423522 2.241155 2.183353 ] [ 3.951754 3.941629 0.5726112 ] [ 3.96365 5.193256 2.218192 ] [ 5.084028 3.36384 3.521791 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.697876e-10 3.711698e-10 1.143091e-10 ] [ 3.423522e-10 2.241155e-10 2.183353e-10 ] [ 3.951754000000001e-10 3.941629e-10 5.726112e-11 ] [ 3.96365e-10 5.193256e-10 2.218192e-10 ] [ 5.084028e-10 3.36384e-10 3.521791e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2808352 0.5363169 1.28292 ] [ 0.0601254 1.6923531 -0.129639 ] [ 0.2588759 -2.0492208 -1.6659114 ] [ -1.0661402 -1.0987363 2.3535998 ] [ -1.5336963 0.9192872 -1.8409694 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.654300833337692e-09 8.592743985199315e-10 2.055464430356736e-09 ] [ 9.633151019624833e-11 2.711448570958405e-09 -2.077045749438912e-10 ] [ 4.147649146685588e-10 -3.283213656617073e-09 -2.669084297404197e-09 ] [ -1.708144902935036e-09 -1.760369612284295e-09 3.770882574279556e-09 ] [ -2.457252355267463e-09 1.472860459640694e-09 -2.949558132288204e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.417835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.950862464275197e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.998017 3.9096166 1.0455033 ] [ 3.1583424 2.4424658 2.476183 ] [ 4.3129644 3.7086455 0.6628809 ] [ 3.4012067 4.9198364 2.6443318 ] [ 5.2502996 3.4710137 2.8101391 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.998017e-10 3.9096166e-10 1.0455033e-10 ] [ 3.1583424e-10 2.4424658e-10 2.476183e-10 ] [ 4.312964400000001e-10 3.7086455e-10 6.628809000000001e-11 ] [ 3.4012067e-10 4.919836400000001e-10 2.6443318e-10 ] [ 5.2502996e-10 3.4710137e-10 2.8101391e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.52e-05 1.16e-05 -4.33e-05 ] [ -3.44e-05 2.73e-05 4.9e-05 ] [ 2.98e-05 1.2e-06 -2.47e-05 ] [ -4.2e-05 -3.61e-05 3.39e-05 ] [ 7.18e-05 -4.1e-06 -1.48e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.037485084416e-14 1.858524880128e-14 -6.937424768064e-14 ] [ -5.511487575552001e-14 4.373942174784e-14 7.85066544192e-14 ] [ 4.774486329984001e-14 1.92261194496e-15 -3.957376253376001e-14 ] [ -6.72914180736e-14 -5.783857601088001e-14 5.431378744512e-14 ] [ 1.1503628137344e-13 -6.568924145279999e-15 -2.371221398784e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.115797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.383123628295878e-18 } }