{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9180163 -1.440668 -1.9745479 ] [ -2.4852773 -1.3602581 0.5624991 ] [ 1.2633721 1.0088941 0.3879847 ] [ -2.4968908 2.2430578 0.2357988 ] [ -1.2374059 0.2165366 -0.2981259 ] [ 1.5331215 -0.671643 0.2114568 ] [ 1.5050642 0.0040806 0.8749343 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.073000899491134e-09 -2.308204606951512e-09 -3.163574508093768e-09 ] [ -3.981853219070608e-09 -2.179373744029235e-09 9.012229146660294e-10 ] [ 2.024145258667511e-09 1.616426553200459e-09 6.216200206894998e-10 ] [ -4.000460097409567e-09 3.593774795871445e-09 3.777913276852392e-10 ] [ -1.98254281975374e-09 3.469298809258044e-10 -4.776503509702205e-10 ] [ 2.456331444383031e-09 -1.076090720989662e-09 3.387911440604111e-10 ] [ 2.411378693909903e-09 6.5378419727004e-12 1.401799291745146e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.691849005765544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.834546708929368e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4820904 1.3410376 1.9368762 ] [ 1.4371055 0.6273236 3.9807053 ] [ 2.2961331 2.5301479 4.9351964 ] [ 2.0949652 3.5205859 2.8740582 ] [ 3.6634813 -0.0686372 3.4847292 ] [ 4.3213555 2.8246419 2.3781473 ] [ 4.4323542 1.8623429 4.4593435 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4820904e-10 1.3410376e-10 1.9368762e-10 ] [ 1.4371055e-10 6.273236e-11 3.9807053e-10 ] [ 2.2961331e-10 2.5301479e-10 4.9351964e-10 ] [ 2.0949652e-10 3.5205859e-10 2.8740582e-10 ] [ 3.6634813e-10 -6.86372e-12 3.4847292e-10 ] [ 4.3213555e-10 2.8246419e-10 2.3781473e-10 ] [ 4.4323542e-10 1.8623429e-10 4.4593435e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.16e-05 -2.3e-05 3.22e-05 ] [ -2.6e-05 4.17e-05 -3.45e-05 ] [ 2.7e-05 -4.57e-05 -4.25e-05 ] [ -4.9e-05 -1.5e-05 4.39e-05 ] [ -1.21e-05 7.34e-05 1.34e-05 ] [ 2.07e-05 -4.21e-05 1.25e-05 ] [ 1.78e-05 1.07e-05 -2.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.46070152944e-14 -3.6850062582e-14 5.159008761479998e-14 ] [ -4.165659248399999e-14 6.681076563779999e-14 -5.527509387299999e-14 ] [ 4.325876911799999e-14 -7.32194721738e-14 -6.8092506945e-14 ] [ -7.850665506599998e-14 -2.403264951e-14 7.03355542326e-14 ] [ -1.93863372714e-14 1.175997649356e-13 2.14691668956e-14 ] [ 3.316505632379999e-14 -6.745163629139998e-14 2.0027207925e-14 ] [ 2.851874408519999e-14 1.71432899838e-14 -3.989419818659999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }