{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7280345 0.3299029 1.094513 ] [ 0.0054729 -0.2473292 -0.9594618 ] [ -2.7159306 -0.03308 0.2317965 ] [ 5.4803857 -11.4900186 -4.6254717 ] [ -0.3907781 -2.3086203 4.4929556 ] [ -1.8670737 14.4692576 1.3565639 ] [ -1.2401107 -0.7201125 -1.5908955 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.166439855035818e-09 5.285627135141203e-10 1.753603139761671e-09 ] [ 8.76855242797632e-12 -3.962650618811674e-10 -1.537227264510685e-09 ] [ -4.351400511035317e-09 -5.3000002616064e-11 3.713789330832672e-10 ] [ 8.780545841506643e-09 -1.840903917347715e-08 -7.410822617912032e-09 ] [ -6.260955357406446e-10 -3.698817470964282e-09 7.198508420612437e-09 ] [ -2.991381831450553e-09 2.318230624705272e-08 2.173454965201269e-09 ] [ -1.986876370743923e-09 -1.15374741184584e-09 -2.548895576235927e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.027527158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.452809853672971e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6821463 1.8041081 1.0883317 ] [ 3.2663481 0.8907185 2.641193 ] [ 2.0683212 3.1839563 2.967678 ] [ 5.2129928 2.2508743 2.133602 ] [ 4.0189671 2.4664448 4.2877951 ] [ 4.2058008 4.3984591 2.8308912 ] [ 3.5030538 3.3383458 0.7954689 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6821463e-10 1.8041081e-10 1.0883317e-10 ] [ 3.2663481e-10 8.907185e-11 2.641193e-10 ] [ 2.0683212e-10 3.1839563e-10 2.967678e-10 ] [ 5.2129928e-10 2.2508743e-10 2.133602e-10 ] [ 4.018967100000001e-10 2.4664448e-10 4.2877951e-10 ] [ 4.2058008e-10 4.3984591e-10 2.8308912e-10 ] [ 3.5030538e-10 3.3383458e-10 7.954689e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.99e-05 7.7e-06 9.9e-06 ] [ -1.04e-05 8.3e-06 -5.8e-06 ] [ -2.01e-05 -4.9e-06 -9.7e-06 ] [ 1.86e-05 2e-06 -6.1e-06 ] [ 2.8e-06 -7.9e-06 3.28e-05 ] [ 1.18e-05 -3.4e-06 -3.1e-06 ] [ -2.26e-05 -1.9e-06 -1.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.188331475392e-14 1.233675998016e-14 1.586154854592e-14 ] [ -1.666263685632e-14 1.329806595264e-14 -9.292624400640001e-15 ] [ -3.220375007808e-14 -7.850665441919999e-15 -1.554111322176e-14 ] [ 2.980048514688e-14 3.2043532416e-15 -9.77327738688e-15 ] [ 4.48609453824e-15 -1.265719530432e-14 5.255139316223999e-14 ] [ 1.890568412544e-14 -5.44740051072e-15 -4.96674752448e-15 ] [ -3.620919163008e-14 -3.04413557952e-15 -2.88391791744e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.103202158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298276105265201e-18 } }