{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1142993 -2.0178376 -6.2481382 ] [ -5.2941008 -2.0325102 1.2669604 ] [ -5.979985 4.3778215 1.4739634 ] [ -0.9298018 -6.4653675 -1.1941101 ] [ 6.2418043 3.341845 -2.9985139 ] [ 3.1047037 -0.2411616 4.1338473 ] [ 2.9716788 3.0372106 3.5659912 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.831276662338054e-10 -3.232932227291182e-09 -1.001062094756739e-08 ] [ -8.482084529918577e-09 -3.256440323977532e-09 2.029894332359416e-09 ] [ -9.580992159734688e-09 7.014043257335587e-09 2.361549699394878e-09 ] [ -1.489706705937758e-09 -1.035866065338015e-08 -1.91317528488115e-09 ] [ 1.000047292106891e-08 5.354225929337377e-09 -4.804148867723828e-09 ] [ 4.974283682651257e-09 -3.863834773547213e-10 6.623153498017204e-09 ] [ 4.761154297886999e-09 4.86614781576594e-09 5.713347730618537e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.024105 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.086691653784438e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.903335 1.9894182 0.8107951 ] [ 1.8113763 0.843334 3.8365461 ] [ 1.932157 3.0574797 2.7918293 ] [ 3.8079309 0.2080412 2.3894756 ] [ 5.2100456 2.2492967 1.7484361 ] [ 4.1219135 1.1072063 4.7636081 ] [ 4.1798327 3.3324987 3.7071725 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.903335000000001e-10 1.9894182e-10 8.107951000000001e-11 ] [ 1.8113763e-10 8.43334e-11 3.8365461e-10 ] [ 1.932157e-10 3.0574797e-10 2.7918293e-10 ] [ 3.8079309e-10 2.080412e-11 2.3894756e-10 ] [ 5.2100456e-10 2.2492967e-10 1.7484361e-10 ] [ 4.1219135e-10 1.1072063e-10 4.7636081e-10 ] [ 4.179832700000001e-10 3.3324987e-10 3.7071725e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.2e-06 5.8e-06 -1.17e-05 ] [ 1.13e-05 1.7e-06 -5.1e-06 ] [ -4.98e-05 -1.47e-05 3.7e-06 ] [ -1.6e-05 2.1e-06 1.34e-05 ] [ 3.84e-05 -2.93e-05 8e-07 ] [ 5.4e-06 7.5e-06 -3.35e-05 ] [ 1.69e-05 2.7e-05 3.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.93349504896e-15 9.292624400640001e-15 -1.874546646336e-14 ] [ 1.810459581504e-14 2.72370025536e-15 -8.17110076608e-15 ] [ -7.978839571583999e-14 -2.355199632576e-14 5.928053496960001e-15 ] [ -2.56348259328e-14 3.36457090368e-15 2.146916671872e-14 ] [ 6.152358223872e-14 -4.694377498944e-14 1.28174129664e-15 ] [ 8.65175375232e-15 1.2016324656e-14 -5.36729167968e-14 ] [ 2.707678489152e-14 4.32587687616e-14 5.207074017599999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.305811 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.932914240898347e-18 } }