{ "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" [ [ 0.0417064 1.393533 2.342657 ] [ 0.9221083 2.569653 0.2410471 ] [ 1.810038 0.5140043 0.5075901 ] [ 2.608454 2.928842 0.8878785 ] [ 2.606177 1.867368 2.693771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.17064e-12 1.393533e-10 2.342657e-10 ] [ 9.221083e-11 2.569653e-10 2.410471e-11 ] [ 1.810038e-10 5.140043e-11 5.075901e-11 ] [ 2.608454e-10 2.928842e-10 8.878785000000001e-11 ] [ 2.606177e-10 1.867368e-10 2.693771e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.660794 0.1490315 -1.1347012 ] [ -15.7110628 -1.3688089 -5.0359418 ] [ 0.6149531 -1.2272008 1.5920108 ] [ 14.6640101 5.5426349 1.0664776 ] [ -1.2286945 -3.0956567 3.5121546 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.660885340687396e-09 2.38774787029971e-10 -1.817991749211761e-09 ] [ -2.517189771346661e-08 -2.193073635991242e-09 -8.0684682821439e-09 ] [ 9.852634878258654e-10 -1.966192446986107e-09 2.550682504835647e-09 ] [ 2.349433434296e-08 8.880280127572927e-09 1.708685491404398e-09 ] [ -1.968585618224313e-09 -4.959788831625547e-09 5.627092035115616e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.9579599 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.595441067408898e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1676176 1.3903347 2.2364267 ] [ 0.5292657 2.6158604 0.1713529 ] [ 1.9247372 0.6448914 0.6739082 ] [ 2.8642556 2.92392 0.7630911 ] [ 2.5026074 1.6983939 2.8281648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.676176e-11 1.3903347e-10 2.2364267e-10 ] [ 5.292657e-11 2.6158604e-10 1.713529e-11 ] [ 1.9247372e-10 6.448914e-11 6.739082e-11 ] [ 2.8642556e-10 2.92392e-10 7.630911000000001e-11 ] [ 2.5026074e-10 1.6983939e-10 2.8281648e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-06 1.5e-06 2.8e-06 ] [ -8e-07 1.8e-06 1e-07 ] [ 3.2e-06 -7.5e-06 -2.8e-06 ] [ 1.2e-06 3.6e-06 8e-07 ] [ 4e-07 6e-07 -9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706535999999e-15 2.403264951e-15 4.486094575199999e-15 ] [ -1.2817413072e-15 2.8839179412e-15 1.602176634e-16 ] [ 5.1269652288e-15 -1.2016324755e-14 -4.486094575199999e-15 ] [ 1.9226119608e-15 5.767835882399999e-15 1.2817413072e-15 ] [ 6.408706536e-16 9.613059803999998e-16 -1.4419589706e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.391586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.305786281540152e-18 } }