{ "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" [ [ -1.4453337 -3.6931434 -5.288379 ] [ -1.3304674 -1.2338696 4.7650043 ] [ -0.442487 3.0007635 -1.6914164 ] [ -0.1974204 0.5501016 -0.2002463 ] [ 3.4157086 1.376148 2.4150374 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.315679863394361e-09 -5.917068012741822e-09 -8.472917195729683e-09 ] [ -2.131643763016562e-09 -1.976877026235848e-09 7.63437848747147e-09 ] [ -7.089423264079297e-10 4.807753124249981e-09 -2.709947812117701e-09 ] [ -3.163023493489843e-10 8.813599225846733e-10 -3.20829940261703e-10 ] [ 5.472568462385499e-09 2.204832152360678e-09 3.869316460637618e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.3030263 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.330291461974753e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9950388 1.7347751 2.250927 ] [ 1.7532542 2.0660606 4.6676675 ] [ 2.4524358 4.1394142 2.1192442 ] [ 4.3920387 1.4553438 2.6812226 ] [ 3.7367805 3.3724373 4.0611627 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9950388e-10 1.7347751e-10 2.250927e-10 ] [ 1.7532542e-10 2.0660606e-10 4.6676675e-10 ] [ 2.4524358e-10 4.1394142e-10 2.1192442e-10 ] [ 4.3920387e-10 1.4553438e-10 2.6812226e-10 ] [ 3.7367805e-10 3.3724373e-10 4.0611627e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.94e-05 1.56e-05 2.17e-05 ] [ -4.2e-06 -2.6e-06 6.4e-06 ] [ -2.7e-06 1.25e-05 -7.7e-06 ] [ 6.5e-06 -4.1e-06 -8e-07 ] [ -1.89e-05 -2.14e-05 -1.97e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.108222644352e-14 2.499395528448e-14 3.476723267136e-14 ] [ -6.72914180736e-15 -4.16565921408e-15 1.025393037312e-14 ] [ -4.32587687616e-15 2.002720776e-14 -1.233675998016e-14 ] [ 1.04141480352e-14 -6.568924145279999e-15 -1.28174129664e-15 ] [ -3.028113813312e-14 -3.428657968511999e-14 -3.156287942976e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.950872 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.754523109577334e-18 } }