{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8949075 0.7135277 0.9123748 ] [ 0.8261233 -0.4322006 -0.1524643 ] [ -3.5148813 1.3930403 1.3444306 ] [ -7.7592727 2.1860985 -2.0998536 ] [ 1.8631522 -2.8258374 1.4173209 ] [ 3.0994325 -6.6863468 -8.4744574 ] [ 4.5905384 5.6517183 7.0526489 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.433799874278576e-09 1.143197399233196e-09 1.461785573967076e-09 ] [ 1.323595437158145e-09 -6.924616968157325e-10 -2.442747369666374e-10 ] [ -5.631460643747111e-09 2.231896600492219e-09 2.154015275608116e-09 ] [ -1.243172531435169e-08 3.502515907465949e-09 -3.364336345022715e-09 ] [ 2.985098895832086e-09 -4.527490616462258e-09 2.270798410151215e-09 ] [ 4.965838289247696e-09 -1.071270852152089e-08 -1.357757752024556e-08 ] [ 7.354853301364639e-09 9.05505092760752e-09 1.129958918229084e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.215616 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.918463408867042e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8621703 2.7737587 1.1221471 ] [ 1.5880839 1.3380235 2.932805 ] [ 1.2346878 3.2248572 4.32964 ] [ 1.7860437 4.7368025 2.5587794 ] [ 3.5209861 2.3016581 4.1279039 ] [ 4.0080543 3.4545917 1.9360685 ] [ 3.750562 4.7408213 3.9702494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8621703e-10 2.7737587e-10 1.1221471e-10 ] [ 1.5880839e-10 1.3380235e-10 2.932805e-10 ] [ 1.2346878e-10 3.224857200000001e-10 4.329640000000001e-10 ] [ 1.7860437e-10 4.736802499999999e-10 2.5587794e-10 ] [ 3.5209861e-10 2.3016581e-10 4.1279039e-10 ] [ 4.0080543e-10 3.4545917e-10 1.9360685e-10 ] [ 3.750562e-10 4.740821300000001e-10 3.9702494e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.37e-05 -1.93e-05 1.15e-05 ] [ -1.31e-05 -1.47e-05 -1.05e-05 ] [ -8.5e-06 1.49e-05 -2e-07 ] [ 1.09e-05 -6.2e-06 1.13e-05 ] [ 1.4e-06 9.7e-06 -1.75e-05 ] [ -1.36e-05 1.63e-05 2.6e-06 ] [ 9.2e-06 -7e-07 2.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.194981970496e-14 -3.092200878144e-14 1.84250311392e-14 ] [ -2.098851373248e-14 -2.355199632576e-14 -1.68228545184e-14 ] [ -1.36185012768e-14 2.387243164992e-14 -3.2043532416e-16 ] [ 1.746372516672e-14 -9.93349504896e-15 1.810459581504e-14 ] [ 2.24304726912e-15 1.554111322176e-14 -2.8038090864e-14 ] [ -2.178960204288e-14 2.611547891904e-14 4.16565921408e-15 ] [ 1.474002491136e-14 -1.12152363456e-15 4.48609453824e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.786315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.490552454638435e-18 } }