{ "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" [ [ 1.2631552 -0.842646 -1.0595776 ] [ -1.8260402 2.8170431 -1.2576434 ] [ -1.7065572 -1.8167451 0.6089067 ] [ 1.2117507 0.1917545 0.4695246 ] [ 0.6725307 0.3417506 1.0360058 ] [ -1.9772441 0.0788429 0.353086 ] [ 2.3624048 -0.7700001 -0.150302 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.023797729881948e-09 -1.350067720810637e-09 -1.697630458643374e-09 ] [ -2.925638917080956e-09 4.513400594605956e-09 -2.014966852783423e-09 ] [ -2.73420604789791e-09 -2.910746525172958e-09 9.755760789884795e-10 ] [ 1.941438641778035e-09 3.072245768331935e-10 7.522613370104718e-10 ] [ 1.077512964310259e-09 5.475448214643724e-10 1.659864271773201e-09 ] [ -3.167894270634738e-09 1.263202510960723e-10 5.657061343317889e-10 ] [ 3.7849897394257e-09 -1.233676158233662e-09 -2.408103504594816e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.378618085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.342402601131625e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5696593 1.8801627 3.2365436 ] [ 1.7223226 5.3518088 2.2456687 ] [ 0.838629 3.350307 2.9282499 ] [ 2.6190411 3.3148223 1.2814281 ] [ 2.8422837 4.1547781 4.0333985 ] [ 4.523192 2.9730652 2.7444967 ] [ 3.9995097 5.1186588 2.1321045 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5696593e-10 1.8801627e-10 3.2365436e-10 ] [ 1.7223226e-10 5.3518088e-10 2.2456687e-10 ] [ 8.38629e-11 3.350307e-10 2.9282499e-10 ] [ 2.6190411e-10 3.3148223e-10 1.2814281e-10 ] [ 2.8422837e-10 4.1547781e-10 4.0333985e-10 ] [ 4.523192e-10 2.9730652e-10 2.7444967e-10 ] [ 3.9995097e-10 5.118658800000001e-10 2.1321045e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.3e-06 -1e-07 1.09e-05 ] [ 1.4e-06 -1.58e-05 1.9e-06 ] [ -1.95e-05 7.8e-06 7.2e-06 ] [ 4.5e-06 1.56e-05 -1.71e-05 ] [ -4.1e-06 -9.2e-06 9e-07 ] [ 9.9e-06 2.8e-06 3.3e-06 ] [ 5.4e-06 -1.2e-06 -7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.68500622784e-15 -1.6021766208e-16 1.746372516672e-14 ] [ 2.24304726912e-15 -2.531439060864e-14 3.04413557952e-15 ] [ -3.12424441056e-14 1.249697764224e-14 1.153567166976e-14 ] [ 7.2097947936e-15 2.499395528448e-14 -2.739722021568e-14 ] [ -6.568924145279999e-15 -1.474002491136e-14 1.44195895872e-15 ] [ 1.586154854592e-14 4.48609453824e-15 5.28718284864e-15 ] [ 8.65175375232e-15 -1.92261194496e-15 -1.12152363456e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }