{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.912622 1.78272 1.2568 ] [ 2.727936 0.232034 3.207427 ] [ 3.003232 2.746828 4.7469 ] [ 4.479923 1.355966 2.983258 ] [ 4.230826 3.711883 2.275883 ] [ 5.441026 3.401037 4.285306 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.912622e-10 1.78272e-10 1.2568e-10 ] [ 2.727936e-10 2.32034e-11 3.207427e-10 ] [ 3.003232e-10 2.746828e-10 4.7469e-10 ] [ 4.479923e-10 1.355966e-10 2.983258e-10 ] [ 4.230826000000001e-10 3.711883e-10 2.275883e-10 ] [ 5.441026e-10 3.401037e-10 4.285306000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3024019 0.3579588 0.164073 ] [ -4.7818328 -2.5244082 -0.0944624 ] [ 1.9571309 -0.4804792 -0.7039501 ] [ 5.0452468 3.2596302 1.5340724 ] [ -0.6194703 0.1075417 -1.2939691 ] [ -1.2986728 -0.7202433 0.3942362 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.845012582572045e-10 5.735132252946792e-10 2.628739268702819e-10 ] [ -7.661340779854795e-09 -4.044547832717998e-09 -1.513454500715616e-10 ] [ 3.13566939765939e-09 -7.698125473630128e-10 -1.127852401721963e-09 ] [ 8.08337653572327e-09 5.222503341920746e-09 2.457854954144301e-09 ] [ -9.9250084011697e-10 1.723007989206378e-10 -2.073167057138009e-09 ] [ -2.080703215371355e-09 -1.153956986055052e-09 6.316360279169507e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -14.469618 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.318288386250581e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6311693 2.1738587 1.5655153 ] [ 2.6067677 0.0427453 2.5729669 ] [ 3.5196316 2.4326482 5.3630282 ] [ 4.3967005 1.4312922 3.3768211 ] [ 4.7382989 3.2742318 1.783109 ] [ 4.9029969 3.8756917 4.0941336 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6311693e-10 2.1738587e-10 1.5655153e-10 ] [ 2.6067677e-10 4.27453e-12 2.5729669e-10 ] [ 3.5196316e-10 2.4326482e-10 5.363028199999999e-10 ] [ 4.3967005e-10 1.4312922e-10 3.3768211e-10 ] [ 4.7382989e-10 3.2742318e-10 1.783109e-10 ] [ 4.9029969e-10 3.8756917e-10 4.0941336e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.05e-05 1.8e-06 -2.14e-05 ] [ -1.06e-05 -1.39e-05 4.08e-05 ] [ -1.75e-05 -6e-07 -7.48e-05 ] [ 4.15e-05 3.35e-05 1.69e-05 ] [ -1.2e-05 2.91e-05 3.69e-05 ] [ 1.92e-05 -5e-05 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2844620997e-14 2.8839179412e-15 -3.42865799676e-14 ] [ -1.69830723204e-14 -2.22702552126e-14 6.53688066672e-14 ] [ -2.8038091095e-14 -9.613059803999998e-16 -1.198428122232e-13 ] [ 6.649033031099999e-14 5.367291723899999e-14 2.70767851146e-14 ] [ -1.9226119608e-14 4.66233400494e-14 5.91203177946e-14 ] [ 3.076179137279999e-14 -8.010883169999999e-14 2.403264951e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.487354 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.641565333528644e-18 } }