{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2424348 -2.7752265 -2.0926588 ] [ 1.692883 1.2145099 -0.0805895 ] [ -0.6589006 -0.7239375 0.548705 ] [ -2.0494818 -1.7045479 -2.3523948 ] [ 0.7275622 2.3505614 2.346401 ] [ -0.0403086 0.0186218 -0.3747329 ] [ 2.5706805 1.6200188 2.00527 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.592776610228324e-09 -4.446403015724612e-09 -3.352809004671384e-09 ] [ 2.712297564349767e-09 1.945859367510146e-09 -1.291186127819616e-10 ] [ -1.055675136751093e-09 -1.1598757374204e-09 8.791223227160639e-10 ] [ -3.283631824715102e-09 -2.730986794413736e-09 -3.768951951451492e-09 ] [ 1.165683147017814e-09 3.766014520834918e-09 3.759348825221741e-09 ] [ -6.458149653717888e-11 2.983541259721344e-11 -6.003882914245843e-10 ] [ 4.118684196646454e-09 2.595556246616471e-09 3.212796712391616e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.531732085572457 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.046498844083342e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2307284 2.8736154 1.8654166 ] [ 2.6972657 0.8657726 2.9983647 ] [ 2.4722487 2.9136302 4.2048061 ] [ 4.4964698 1.7098348 1.7401395 ] [ 4.5933537 1.8241235 4.0875203 ] [ 4.0546264 3.7547062 0.7100533 ] [ 4.2561014 3.8973292 3.0288582 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2307284e-10 2.8736154e-10 1.8654166e-10 ] [ 2.6972657e-10 8.657726000000001e-11 2.9983647e-10 ] [ 2.4722487e-10 2.9136302e-10 4.2048061e-10 ] [ 4.4964698e-10 1.7098348e-10 1.7401395e-10 ] [ 4.5933537e-10 1.8241235e-10 4.087520300000001e-10 ] [ 4.0546264e-10 3.7547062e-10 7.100533e-11 ] [ 4.2561014e-10 3.8973292e-10 3.0288582e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.24e-05 2.1e-05 1.09e-05 ] [ 2.23e-05 -1.95e-05 -2.95e-05 ] [ -2.97e-05 -2.1e-06 2.38e-05 ] [ -2.81e-05 -9.6e-06 -1.52e-05 ] [ 1.79e-05 2.55e-05 4.47e-05 ] [ 1.52e-05 5.8e-06 -2.95e-05 ] [ 1.49e-05 -2.12e-05 -5.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.986699009792e-14 3.36457090368e-14 1.746372516672e-14 ] [ 3.572853864384e-14 -3.12424441056e-14 -4.72642103136e-14 ] [ -4.758464563776e-14 -3.36457090368e-15 3.813180357504e-14 ] [ -4.502116304448e-14 -1.538089555968e-14 -2.435308463616e-14 ] [ 2.867896151232001e-14 4.08555038304e-14 7.161729494976001e-14 ] [ 2.435308463616e-14 9.292624400640001e-15 -4.72642103136e-14 ] [ 2.387243164992e-14 -3.396614436096001e-14 -8.33131842816e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }