{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0250156 1.2579661 0.7016837 ] [ -0.1142609 0.0790558 -0.1884993 ] [ -2.8237839 -0.7885341 1.0557615 ] [ 0.2307615 -1.7349575 -0.3875927 ] [ -0.3059199 0.7264754 -0.2785391 ] [ 2.2444186 0.7860691 -0.1728654 ] [ -0.2562311 -0.3260748 -0.7299487 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.642256030275284e-09 2.015483875178955e-09 1.124221219336441e-09 ] [ -1.830661426515667e-10 1.266613544986406e-10 -3.020091714971654e-10 ] [ -4.524200546771445e-09 -1.263370899723569e-09 1.691516392440739e-09 ] [ 3.697206802807392e-10 -2.779708344581616e-09 -6.209919623327483e-10 ] [ -4.90137711617474e-10 1.163941901466328e-09 -4.462688339986733e-10 ] [ 3.595955008208667e-09 1.259421534353297e-09 -2.769609024252403e-10 ] [ -4.105274779418669e-10 -5.224294211920358e-10 -1.169506741523353e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.11137 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.22219668262585e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4656541 1.2500097 1.5248652 ] [ 1.2385564 1.9053816 3.8151435 ] [ 1.4343053 3.5850832 2.0472899 ] [ 3.8371794 1.2035188 1.7432814 ] [ 3.538925 1.3126474 4.1040322 ] [ 3.8037486 3.5851002 1.7123195 ] [ 2.9667832 3.63138 3.9537055 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4656541e-10 1.2500097e-10 1.5248652e-10 ] [ 1.2385564e-10 1.9053816e-10 3.8151435e-10 ] [ 1.4343053e-10 3.5850832e-10 2.0472899e-10 ] [ 3.8371794e-10 1.2035188e-10 1.7432814e-10 ] [ 3.538925e-10 1.3126474e-10 4.1040322e-10 ] [ 3.8037486e-10 3.5851002e-10 1.7123195e-10 ] [ 2.9667832e-10 3.63138e-10 3.9537055e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.71e-05 -1.4e-06 -1.44e-05 ] [ 1.44e-05 -5.2e-06 1.45e-05 ] [ 7.9e-06 -6.7e-06 -9e-07 ] [ -2e-07 8.2e-06 1.14e-05 ] [ -9e-06 -6.3e-06 6.8e-06 ] [ 9.3e-06 1.39e-05 -1.08e-05 ] [ -5.3e-06 -2.6e-06 -6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.739722021568e-14 -2.24304726912e-15 -2.307134333952e-14 ] [ 2.307134333952e-14 -8.33131842816e-15 2.32315610016e-14 ] [ 1.265719530432e-14 -1.073458335936e-14 -1.44195895872e-15 ] [ -3.2043532416e-16 1.313784829056e-14 1.826481347712e-14 ] [ -1.44195895872e-14 -1.009371271104e-14 1.089480102144e-14 ] [ 1.490024257344e-14 2.227025502912e-14 -1.730350750464e-14 ] [ -8.491536090240001e-15 -4.16565921408e-15 -1.04141480352e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }