{ "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" [ [ 1.305811 2.49596 1.153083 ] [ 2.737889 0.6120376 2.536176 ] [ 2.287817 4.454983 1.771215 ] [ 3.462438 1.614504 0.7986264 ] [ 3.194185 2.806829 3.238803 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.305811e-10 2.49596e-10 1.153083e-10 ] [ 2.737889e-10 6.120375999999999e-11 2.536176e-10 ] [ 2.287817e-10 4.454983e-10 1.771215e-10 ] [ 3.462438e-10 1.614504e-10 7.986264e-11 ] [ 3.194185e-10 2.806829e-10 3.238803e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9250554 -0.6700022 -3.4293847 ] [ -1.6985974 -3.6075291 4.3505593 ] [ 0.1617615 1.3987125 0.6083269 ] [ 2.7402589 1.1332812 -5.5302946 ] [ 2.7216324 1.7455375 4.0007932 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.288632049035523e-09 -1.073461869568595e-09 -5.494480035337099e-09 ] [ -2.721453064853151e-09 -5.779898830495048e-09 6.970364455291395e-09 ] [ 2.59170495580791e-10 2.240984485183725e-09 9.746471450136544e-10 ] [ 4.390378780690542e-09 1.815716658391481e-09 -8.860508787256376e-09 ] [ 4.360535837617341e-09 2.796659396270775e-09 6.409977382506089e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.8037233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.410511976346137e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.733813 3.0068957 0.2301226 ] [ 3.5572469 0.8903376 2.7451106 ] [ 1.9087481 4.2244411 2.2009422 ] [ 2.7526382 0.9463049 0.5664359 ] [ 3.0356937 2.9163343 3.755292 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.733813e-10 3.0068957e-10 2.301226e-11 ] [ 3.5572469e-10 8.903376e-11 2.7451106e-10 ] [ 1.9087481e-10 4.2244411e-10 2.2009422e-10 ] [ 2.7526382e-10 9.463049e-11 5.664359e-11 ] [ 3.0356937e-10 2.9163343e-10 3.755292e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 5e-06 2.1e-06 ] [ -3.1e-06 -2.3e-06 -7.2e-06 ] [ 8e-06 -1.32e-05 4.8e-06 ] [ 5.1e-06 2.9e-06 1.28e-05 ] [ -7.2e-06 7.5e-06 -1.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.6463122386e-15 8.010883169999999e-15 3.364570931399999e-15 ] [ -4.9667475654e-15 -3.685006258199999e-15 -1.15356717648e-14 ] [ 1.2817413072e-14 -2.11487315688e-14 7.690447843199998e-15 ] [ 8.1711008334e-15 4.6463122386e-15 2.05078609152e-14 ] [ -1.15356717648e-14 1.2016324755e-14 -1.98669902616e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.435516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992389316693314e-18 } }