{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4455456 -5.3525602 -5.2302853 ] [ 0.5511484 -0.3300581 2.3632816 ] [ -4.0918785 -0.2103176 -3.5884721 ] [ -5.30471 -3.5224983 9.2665787 ] [ 1.2496392 9.7196763 -2.8598602 ] [ 1.1559973 1.2777708 -3.9563062 ] [ 7.8853492 -1.5820129 4.0050634 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.316019364620308e-09 -8.575746813864573e-09 -8.379840827773914e-09 ] [ 8.830370810713267e-10 -5.288113713256686e-10 3.786394527886818e-09 ] [ -6.555912067854173e-09 -3.369659416627661e-10 -5.74936610301308e-09 ] [ -8.499082342123968e-09 -5.643664423067745e-09 1.484669574794326e-08 ] [ 2.002142710675216e-09 1.557263812960385e-08 -4.582001151196412e-09 ] [ 1.852111847767924e-09 2.047214502500913e-09 -6.33870129836609e-09 ] [ 1.263372213508398e-08 -2.534664082184009e-09 6.416818944301759e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.196997 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.075697978296774e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9121684 1.0674477 2.5723089 ] [ 2.4600689 3.0185409 0.8561525 ] [ 0.7493429 2.5745179 2.6579128 ] [ 1.9848702 2.1120206 4.8095721 ] [ 2.8504013 4.0548805 3.2499027 ] [ 4.7528971 2.8304921 1.894276 ] [ 4.4592042 2.2702332 4.3376286 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9121684e-10 1.0674477e-10 2.5723089e-10 ] [ 2.4600689e-10 3.0185409e-10 8.561525e-11 ] [ 7.493429e-11 2.5745179e-10 2.6579128e-10 ] [ 1.9848702e-10 2.1120206e-10 4.809572099999999e-10 ] [ 2.8504013e-10 4.054880500000001e-10 3.2499027e-10 ] [ 4.752897100000001e-10 2.8304921e-10 1.894276e-10 ] [ 4.459204200000001e-10 2.2702332e-10 4.3376286e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.21e-05 -1.6e-06 9.4e-06 ] [ 4.2e-05 2.22e-05 1.89e-05 ] [ -1.17e-05 3e-07 -1.34e-05 ] [ 1.79e-05 2.6e-05 1.44e-05 ] [ -3.24e-05 -6.91e-05 -4.9e-06 ] [ 3.1e-06 1.23e-05 -1.01e-05 ] [ 1.33e-05 9.9e-06 -1.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.142986952768e-14 -2.56348259328e-15 1.506046023552e-14 ] [ 6.72914180736e-14 3.556832098176e-14 3.028113813312e-14 ] [ -1.874546646336e-14 4.8065298624e-16 -2.146916671872e-14 ] [ 2.867896151232001e-14 4.16565921408e-14 2.307134333952e-14 ] [ -5.191052251392001e-14 -1.1071040449728e-13 -7.850665441919999e-15 ] [ 4.96674752448e-15 1.970677243584e-14 -1.618198387008e-14 ] [ 2.130894905664e-14 1.586154854592e-14 -2.32315610016e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.454184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.917992188554143e-18 } }