{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2531752 -14.7026337 -30.0297042 ] [ -5.2779776 0.5846193 14.6214873 ] [ -21.7845108 -28.348834 1.4973419 ] [ -27.2784739 17.2516342 -2.849787 ] [ 24.5982562 -20.3457807 16.0501786 ] [ 13.5453423 18.1177238 -18.8417246 ] [ 17.4505389 27.4432712 19.5522079 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.007808007206365e-09 -2.35562159783262e-08 -4.811288999877956e-08 ] [ -8.456252315826093e-09 9.366633745284613e-10 2.342620511338411e-08 ] [ -3.490263389932511e-08 -4.541983906174015e-08 2.399006185524251e-09 ] [ -4.3704933133683e-08 2.764016498583372e-08 -4.565862105659769e-09 ] [ 3.941075099608865e-08 -3.259753416946386e-08 2.571522091258448e-08 ] [ 2.17020307537933e-08 2.902779349447174e-08 -3.018777064967223e-08 ] [ 2.795884544594095e-08 4.396896751491396e-08 3.132609038240107e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 19.583928 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.13769115850305e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6767747 2.2419154 0.843951 ] [ 1.6805882 4.1304387 4.7234721 ] [ 1.8706468 1.0076015 2.6933401 ] [ 0.3237106 2.4543135 3.7457939 ] [ 3.7088123 1.1364208 4.174438 ] [ 4.0335877 3.9181357 1.8215653 ] [ 3.8833047 3.4938854 4.1434274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.676774700000001e-10 2.2419154e-10 8.43951e-11 ] [ 1.6805882e-10 4.1304387e-10 4.7234721e-10 ] [ 1.8706468e-10 1.0076015e-10 2.6933401e-10 ] [ 3.237106e-11 2.4543135e-10 3.7457939e-10 ] [ 3.7088123e-10 1.1364208e-10 4.174438e-10 ] [ 4.0335877e-10 3.9181357e-10 1.8215653e-10 ] [ 3.8833047e-10 3.4938854e-10 4.1434274e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.1e-06 4.32e-05 3.71e-05 ] [ -7e-07 2.71e-05 -3.75e-05 ] [ 1.9e-06 2.25e-05 3.53e-05 ] [ 2.36e-05 -5.78e-05 4.1e-06 ] [ -3.82e-05 -5.71e-05 -3.85e-05 ] [ 5.6e-06 -2.17e-05 -3.8e-05 ] [ 1.6e-06 4.37e-05 3.74e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.77327738688e-15 6.921403001856e-14 5.944075263168e-14 ] [ -1.12152363456e-15 4.341898642368e-14 -6.008162327999999e-14 ] [ 3.04413557952e-15 3.604897396800001e-14 5.655683471424e-14 ] [ 3.781136825088e-14 -9.260580868224001e-14 6.568924145279999e-15 ] [ -6.120314691456e-14 -9.148428504768e-14 -6.16837999008e-14 ] [ 8.972189076479999e-15 -3.476723267136e-14 -6.08827115904e-14 ] [ 2.56348259328e-15 7.001511832895999e-14 5.992140561792e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }