{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1703726 -2.0141167 -0.3530627 ] [ -3.7034339 5.1022606 -1.3206396 ] [ -3.6422605 -2.9947462 0.0670063 ] [ 1.2901306 -0.2868794 -0.9570489 ] [ 1.3607233 1.1231284 2.9416531 ] [ -0.6791271 -0.5592577 0.147537 ] [ 4.203595 -0.3703889 -0.5254453 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.87514361734491e-09 -3.226970688302848e-09 -5.656688036165242e-10 ] [ -5.933555211258165e-09 8.17472264654898e-09 -2.115897891622664e-09 ] [ -5.835544619963319e-09 -4.79811234686964e-09 1.07355927306311e-10 ] [ 2.067017085098676e-09 -4.596314676691316e-10 -1.533361372542357e-09 ] [ 2.180119058637825e-09 1.799450064636511e-09 4.713047823323844e-09 ] [ -1.088081562171704e-09 -8.960296119423801e-10 2.363803321029696e-10 ] [ 6.734901632311776e-09 -5.934284361838292e-10 -8.418561751692423e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.525386 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.968094034049563e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6451725 2.3770027 3.8497493 ] [ 1.6874378 5.3197625 2.6503108 ] [ 1.0069825 3.084361 2.2820819 ] [ 2.5394517 2.9015982 0.5561684 ] [ 2.8988334 4.5861439 4.5659836 ] [ 4.236963 2.7864734 2.1508392 ] [ 4.0997965 5.0882613 2.5467569 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6451725e-10 2.3770027e-10 3.8497493e-10 ] [ 1.6874378e-10 5.319762500000001e-10 2.6503108e-10 ] [ 1.0069825e-10 3.084361e-10 2.2820819e-10 ] [ 2.5394517e-10 2.9015982e-10 5.561684e-11 ] [ 2.8988334e-10 4.5861439e-10 4.5659836e-10 ] [ 4.236963000000001e-10 2.786473400000001e-10 2.1508392e-10 ] [ 4.0997965e-10 5.0882613e-10 2.5467569e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0767065 0.0313939 -0.2582015 ] [ 0.005059 -0.1555557 -0.0454841 ] [ 0.1293446 0.200729 0.2654113 ] [ 0.0979307 -0.2122169 -0.2612864 ] [ 0.092155 0.1207715 0.1501062 ] [ -0.085642 -0.0597632 -0.003473 ] [ -0.1621408 0.0746414 0.1529276 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.228973609633952e-10 5.029857261573312e-11 -4.136844067554912e-10 ] [ 8.1054115246272e-12 -2.492277057721785e-10 -7.287356163812928e-11 ] [ 2.072328941467277e-10 3.216033109165632e-10 4.252357797561351e-10 ] [ 1.569022779985785e-10 -3.400089557186516e-10 -4.186269614129971e-10 ] [ 1.47648586489824e-10 1.934972737589472e-10 2.40496644277129e-10 ] [ -1.372136101585536e-10 -9.575120182419456e-11 -5.5643594040384e-12 ] [ -2.597781990378086e-10 1.195887060237811e-10 2.450170253950541e-10 ] ] } "relaxed-potential-energy" { "source-value" -22.508954 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.606331985746265e-18 } }