{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.10043 2.130682 2.453785 ] [ 1.948071 1.785129 4.606922 ] [ 2.343053 4.336787 1.957735 ] [ 4.413531 1.079857 2.965455 ] [ 3.524463 3.435576 3.796327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.10043e-10 2.130682e-10 2.453785e-10 ] [ 1.948071e-10 1.785129e-10 4.606922e-10 ] [ 2.343053e-10 4.336787e-10 1.957735e-10 ] [ 4.413531e-10 1.079857e-10 2.965455e-10 ] [ 3.524463e-10 3.435576e-10 3.796327e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7305445 -1.4876315 -1.5807929 ] [ 1.7854212 -0.0096751 0.1302598 ] [ 0.3354713 0.1890972 0.3936587 ] [ -3.3430603 2.6627075 1.1772314 ] [ 0.4916232 -1.3544981 -0.1203571 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.170461318354026e-09 -2.383448409665635e-09 -2.532709426706632e-09 ] [ 2.860560104920681e-09 -1.550121902390208e-11 2.086992061900839e-10 ] [ 5.37484273809383e-10 3.029671128987418e-10 6.307107657145209e-10 ] [ -5.356173054584634e-09 4.266127704528816e-09 1.886132626351653e-09 ] [ 7.876671972828826e-10 -2.17014518873802e-09 -1.928333317672877e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.565737 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.974558976932153e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.046915 2.0336465 2.2374298 ] [ 2.2159299 1.703347 4.5636784 ] [ 2.4097018 4.296086 2.011526 ] [ 4.0760548 1.2642613 3.1537901 ] [ 3.5809465 3.4706903 3.8137996 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.046915e-10 2.0336465e-10 2.2374298e-10 ] [ 2.2159299e-10 1.703347e-10 4.5636784e-10 ] [ 2.4097018e-10 4.296086e-10 2.011526e-10 ] [ 4.0760548e-10 1.2642613e-10 3.1537901e-10 ] [ 3.5809465e-10 3.4706903e-10 3.8137996e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.38e-05 1.15e-05 5.7e-06 ] [ 1.25e-05 -1.58e-05 -5.3e-06 ] [ 2.35e-05 -2.36e-05 2.8e-06 ] [ -7.5e-06 4.5e-06 -2.8e-06 ] [ -1.46e-05 2.34e-05 -5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.211003736704e-14 1.84250311392e-14 9.13240673856e-15 ] [ 2.002720776e-14 -2.531439060864e-14 -8.491536090240001e-15 ] [ 3.76511505888e-14 -3.781136825088e-14 4.48609453824e-15 ] [ -1.2016324656e-14 7.2097947936e-15 -4.48609453824e-15 ] [ -2.339177866368e-14 3.749093292672001e-14 -8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -20.206918 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.23750515980227e-18 } }