{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9641152 0.4180752 1.1399947 ] [ 0.0608555 -0.3778277 -1.3864305 ] [ -6.1756244 0.1925214 1.121123 ] [ 6.568155 -8.9332437 -4.4760204 ] [ 0.2438176 -2.3971802 7.1910506 ] [ 0.8112206 11.3292386 0.3682035 ] [ -2.4725395 -0.2315836 -3.957921 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.544682833197916e-09 6.698303111762841e-10 1.82647285617591e-09 ] [ 9.75012593470944e-11 -6.053467076306362e-10 -2.221306533464054e-09 ] [ -9.894441032522028e-09 3.084532860836851e-10 1.796237059641159e-09 ] [ 1.052334438279062e-08 -1.431263420404889e-08 -7.171375239103866e-09 ] [ 3.906388584595661e-10 -3.840706072284668e-09 1.152133315030981e-08 ] [ 1.299718679631348e-09 1.815144121638493e-08 5.899270393967328e-10 ] [ -3.961444980904522e-09 -3.710378296806989e-10 -6.341288493173357e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0608087 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.451701586468124e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0006695 2.3735093 1.0301982 ] [ 2.9164586 0.7020678 2.4706188 ] [ 2.027158 2.7925468 3.4807293 ] [ 4.9656236 1.6778911 2.2247538 ] [ 4.4394356 2.9148484 4.0699734 ] [ 3.5236147 4.5862843 2.6295554 ] [ 4.0846699 3.2857592 0.8391309 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0006695e-10 2.3735093e-10 1.0301982e-10 ] [ 2.9164586e-10 7.020678e-11 2.4706188e-10 ] [ 2.027158e-10 2.792546800000001e-10 3.4807293e-10 ] [ 4.9656236e-10 1.6778911e-10 2.2247538e-10 ] [ 4.439435600000001e-10 2.9148484e-10 4.0699734e-10 ] [ 3.5236147e-10 4.5862843e-10 2.6295554e-10 ] [ 4.0846699e-10 3.2857592e-10 8.391309000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.7e-06 2.9e-05 1.15e-05 ] [ 7.2e-06 -1.69e-05 1.23e-05 ] [ -2.1e-05 2.9e-06 -2.79e-05 ] [ 2.2e-06 3.19e-05 1.25e-05 ] [ 2.47e-05 -2.03e-05 -2.8e-06 ] [ -3e-07 -1.74e-05 -1.47e-05 ] [ -7.1e-06 -9.3e-06 9.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.13240673856e-15 4.64631220032e-14 1.84250311392e-14 ] [ 1.153567166976e-14 -2.707678489152e-14 1.970677243584e-14 ] [ -3.36457090368e-14 4.646312200320001e-15 -4.470072772032e-14 ] [ 3.52478856576e-15 5.110943420352001e-14 2.002720776e-14 ] [ 3.957376253376001e-14 -3.252418540224e-14 -4.48609453824e-15 ] [ -4.8065298624e-16 -2.787787320192e-14 -2.355199632576e-14 ] [ -1.137545400768e-14 -1.490024257344e-14 1.474002491136e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }