{ "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" [ [ 0.4008083 0.5190667 2.588988 ] [ 0.3705603 2.591564 0.7446841 ] [ 2.694344 0.0700188 2.876141 ] [ 2.159519 1.331763 1.766469 ] [ 2.561241 2.816208 0.1583109 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.008083e-11 5.190667e-11 2.588988e-10 ] [ 3.705603e-11 2.591564e-10 7.446841e-11 ] [ 2.694344e-10 7.001880000000001e-12 2.876141e-10 ] [ 2.159519e-10 1.331763e-10 1.766469e-10 ] [ 2.561241e-10 2.816208e-10 1.583109e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -221.8104991 -89.5098566 91.4287121 ] [ -77.4090786 16.5376929 -4.8078882 ] [ 236.2125048 -507.445322 443.2213696 ] [ 5.2894588 545.7140164 -482.7974804 ] [ 57.717614 34.7034693 -47.0447131 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.553795959059994e-07 -1.434105995756806e-07 1.464849449964741e-07 ] [ -1.240230159705896e-07 2.649630492635015e-08 -7.703086069460195e-09 ] [ 3.784541527311678e-07 -8.130170312427279e-07 7.101189162120759e-07 ] [ 8.474647226044824e-09 8.743302387189478e-07 -7.735268356780263e-07 ] [ 9.247381175915877e-08 5.560108717311055e-08 -7.53739394610635e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 368.58316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.905353217725857e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.0311852 0.5475636 2.7789043 ] [ -0.0733858 2.6121497 0.7824326 ] [ 2.8088279 -0.6931269 2.5049156 ] [ 2.7374169 2.4222952 2.5928813 ] [ 2.7447987 2.4397388 -0.5245408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.11852e-12 5.475636000000001e-11 2.7789043e-10 ] [ -7.33858e-12 2.6121497e-10 7.824326e-11 ] [ 2.8088279e-10 -6.931269e-11 2.5049156e-10 ] [ 2.7374169e-10 2.4222952e-10 2.5928813e-10 ] [ 2.7447987e-10 2.439738800000001e-10 -5.245408000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.8e-06 1.6e-06 3.5e-06 ] [ 1.05e-05 6.9e-06 -4.1e-06 ] [ 6.8e-06 1.58e-05 -1.56e-05 ] [ -1.26e-05 -6.6e-06 5.9e-06 ] [ -6.4e-06 -1.76e-05 1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.88391791744e-15 2.56348259328e-15 5.6076181728e-15 ] [ 1.68228545184e-14 1.105501868352e-14 -6.568924145279999e-15 ] [ 1.089480102144e-14 2.531439060864e-14 -2.499395528448e-14 ] [ -2.018742542208e-14 -1.057436569728e-14 9.45284206272e-15 ] [ -1.025393037312e-14 -2.819830852608e-14 1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.120343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.781675356987693e-18 } }