{ "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" [ [ 2.264039 2.962814 1.145416 ] [ 2.607686 1.947625 3.138097 ] [ 3.569117 1.227918 0.4731936 ] [ 5.155867 2.512325 3.932817 ] [ 4.543954 3.206398 1.939601 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.264039e-10 2.962814e-10 1.145416e-10 ] [ 2.607686e-10 1.947625e-10 3.138097e-10 ] [ 3.569117e-10 1.227918e-10 4.731936e-11 ] [ 5.155867e-10 2.512325e-10 3.932817e-10 ] [ 4.543954e-10 3.206398e-10 1.939601e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.10044 -1.8310035 2.2809675 ] [ 5.6865132 2.5025854 -4.0291039 ] [ -0.4591686 4.4735301 4.4374461 ] [ -2.6468121 -1.0177458 -0.1846601 ] [ -7.6809725 -4.1273662 -2.5046496 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.171805723793152e-09 -2.933591000302973e-09 3.654512801304624e-09 ] [ 9.110798502910595e-09 4.009583819435416e-09 -6.455336071354101e-09 ] [ -7.356691959254669e-10 7.167385338665086e-09 7.109572397480139e-09 ] [ -4.240660466270552e-09 -1.630608526677392e-09 -2.958580950145901e-10 ] [ -1.230627456450773e-08 -6.612769631120137e-09 -4.012891032416072e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.842714 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.018935584322085e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3174459 2.8548543 0.9818759 ] [ 2.7609855 2.2372029 3.0626427 ] [ 3.9181254 1.3738187 1.3719756 ] [ 4.9388168 1.8879761 3.2697755 ] [ 4.2052893 3.5032281 1.9428549 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3174459e-10 2.8548543e-10 9.818759e-11 ] [ 2.7609855e-10 2.2372029e-10 3.0626427e-10 ] [ 3.9181254e-10 1.3738187e-10 1.3719756e-10 ] [ 4.9388168e-10 1.8879761e-10 3.2697755e-10 ] [ 4.2052893e-10 3.5032281e-10 1.9428549e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.000101 -1.2e-06 1.1e-05 ] [ -4.15e-05 -2.45e-05 6.04e-05 ] [ -5.03e-05 -7.51e-05 -5.37e-05 ] [ 1.2e-06 4.49e-05 -2.8e-05 ] [ -1.04e-05 5.59e-05 1.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.618198387008e-13 -1.92261194496e-15 1.76239428288e-14 ] [ -6.64903297632e-14 -3.92533272096e-14 9.677146789632e-14 ] [ -8.058948402624e-14 -1.2032346422208e-13 -8.603688453696e-14 ] [ 1.92261194496e-15 7.193773027392e-14 -4.48609453824e-14 ] [ -1.666263685632e-14 8.956167310272e-14 1.666263685632e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }