{ "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" [ [ 0.5286717 0.5459164 0.2171681 ] [ 0.0530602 2.45185 0.0097729 ] [ 0.1982568 1.952172 2.366336 ] [ 2.940741 0.007829 0.5912968 ] [ 2.574768 0.9414562 2.330693 ] [ 2.158325 2.742494 1.504322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.286717e-11 5.459164e-11 2.171681e-11 ] [ 5.30602e-12 2.45185e-10 9.7729e-13 ] [ 1.982568e-11 1.952172e-10 2.366336e-10 ] [ 2.940741e-10 7.828999999999999e-13 5.912968e-11 ] [ 2.574768e-10 9.414562e-11 2.330693e-10 ] [ 2.158325e-10 2.742494e-10 1.504322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0502111 -5.8610832 1.1622429 ] [ -0.5972815 5.6342512 -0.0621562 ] [ -0.261784 -0.7682502 -0.266003 ] [ -0.1502794 -1.8090791 -4.7569039 ] [ -0.4304992 -1.7216323 6.6592933 ] [ -0.610367 4.5257936 -2.7364731 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.284800292124651e-09 -9.390490475603652e-09 1.862118402070792e-09 ] [ -9.569504553363554e-10 9.027065548354345e-09 -9.958521047776898e-11 ] [ -4.194242044995072e-10 -1.230872509364924e-09 -4.261837876626624e-10 ] [ -2.407741412678515e-10 -2.898464239197905e-09 -7.621400215972341e-09 ] [ -6.897357535131034e-10 -2.758359020674132e-09 1.066936403631008e-08 ] [ -9.779157375078336e-10 7.251120696486268e-09 -4.384313224268101e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.386242930490678 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.027535876381443e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4909779 0.0719021 0.8643585 ] [ 0.636529 2.2386858 -0.0848398 ] [ 0.2388497 1.9867676 2.237983 ] [ 2.5790926 0.8938071 0.1018804 ] [ 2.1814104 0.6418846 2.4247022 ] [ 2.326963 2.8086704 1.4755044 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.909779e-11 7.19021e-12 8.643585000000001e-11 ] [ 6.36529e-11 2.2386858e-10 -8.483980000000001e-12 ] [ 2.388497e-11 1.9867676e-10 2.237983e-10 ] [ 2.5790926e-10 8.938071e-11 1.018804e-11 ] [ 2.1814104e-10 6.418846e-11 2.4247022e-10 ] [ 2.326963e-10 2.8086704e-10 1.4755044e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.5e-06 1.3e-06 3e-07 ] [ 2.8e-06 7.9e-06 7e-07 ] [ -5.3e-06 -4e-06 -8e-07 ] [ -3e-06 -8.2e-06 -2.1e-06 ] [ 5.4e-06 4.3e-06 2e-06 ] [ -2.5e-06 -1.3e-06 -1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.005441552e-15 2.08282960704e-15 4.8065298624e-16 ] [ 4.48609453824e-15 1.265719530432e-14 1.12152363456e-15 ] [ -8.491536090240001e-15 -6.4087064832e-15 -1.28174129664e-15 ] [ -4.8065298624e-15 -1.313784829056e-14 -3.36457090368e-15 ] [ 8.65175375232e-15 6.889359469440001e-15 3.2043532416e-15 ] [ -4.005441552e-15 -2.08282960704e-15 -1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }