{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5260526 -0.5055849 -3.0939186 ] [ -0.7120972 -0.1997119 3.9105033 ] [ -1.8979167 1.4588023 -2.0524408 ] [ -0.3025196 -0.8411648 -1.6071836 ] [ 1.6861733 0.5652717 -0.9024103 ] [ 0.5456021 -0.2141477 1.4298589 ] [ 1.2068107 -0.2634646 2.3155912 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.42829177031054e-10 -8.10036306609506e-10 -4.957004047578266e-09 ] [ -1.140905485577142e-09 -3.199737370755475e-10 6.265316962821248e-09 ] [ -3.040797764965887e-09 2.337258939429268e-09 -3.288372665336048e-09 ] [ -4.846898304537677e-10 -1.347694576799908e-09 -2.574991989253179e-09 ] [ 2.701547439877185e-09 9.056651021398715e-10 -1.445820685029114e-09 ] [ 8.741509288793837e-10 -3.431024383380921e-10 2.290886500622805e-09 ] [ 1.933523889271282e-09 -4.221168225284237e-10 3.709986083970217e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.833724 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.177712889619986e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5867638 1.5954607 1.6897744 ] [ 1.8639976 2.0166543 4.0505172 ] [ 2.4951424 3.7407943 2.322033 ] [ 3.752977 0.6716364 1.5592633 ] [ 4.7366444 2.7848614 2.1869835 ] [ 4.1055032 1.0607239 3.9154665 ] [ 3.8450564 3.4956853 4.4098342 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5867638e-10 1.5954607e-10 1.6897744e-10 ] [ 1.8639976e-10 2.0166543e-10 4.0505172e-10 ] [ 2.4951424e-10 3.7407943e-10 2.322033e-10 ] [ 3.752977e-10 6.716364e-11 1.5592633e-10 ] [ 4.7366444e-10 2.7848614e-10 2.1869835e-10 ] [ 4.1055032e-10 1.0607239e-10 3.9154665e-10 ] [ 3.8450564e-10 3.4956853e-10 4.4098342e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.7e-06 4.5e-06 2.32e-05 ] [ -7.6e-06 -1.62e-05 -2.42e-05 ] [ 4.4e-06 -2.32e-05 8.6e-06 ] [ -5.6e-06 2.6e-06 -2.2e-06 ] [ 8.1e-06 1.62e-05 3.6e-06 ] [ -2.49e-05 1.87e-05 3.3e-06 ] [ 1.99e-05 -2.7e-06 -1.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.13240673856e-15 7.2097947936e-15 3.717049760256e-14 ] [ -1.217654231808e-14 -2.595526125696e-14 -3.877267422336e-14 ] [ 7.04957713152e-15 -3.717049760256e-14 1.377871893888e-14 ] [ -8.972189076479999e-15 4.16565921408e-15 -3.52478856576e-15 ] [ 1.297763062848e-14 2.595526125696e-14 5.76783583488e-15 ] [ -3.989419785791999e-14 2.996070280896e-14 5.28718284864e-15 ] [ 3.188331475392e-14 -4.32587687616e-15 -1.970677243584e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.957559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.517988767963663e-18 } }