{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.051773 2.11113 1.612774 ] [ 4.096623 0.6333142 0.1280934 ] [ 4.940584 2.852779 0.2569481 ] [ 3.858102 4.269978 1.799879 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.051773e-10 2.11113e-10 1.612774e-10 ] [ 4.096623e-10 6.333142000000001e-11 1.280934e-11 ] [ 4.940584000000001e-10 2.852779e-10 2.569481e-11 ] [ 3.858102e-10 4.269978e-10 1.799879e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7043298 -1.6031272 2.5691425 ] [ 0.1756166 -1.4882505 -0.7272399 ] [ 3.5497254 1.2841693 -2.6166159 ] [ -0.0210122 1.8072084 0.7747133 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.93499060129274e-09 -2.568492920008566e-09 4.116220049003664e-09 ] [ 2.813688107443853e-10 -2.38444015699391e-09 -1.16516676549293e-09 ] [ 5.687287046139928e-09 2.057466029609102e-09 -4.192280820593551e-09 ] [ -3.366525559157376e-11 2.895467047393375e-09 1.241227537082817e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6935538 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.519902166827e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.731242 1.9718099 1.849479 ] [ 4.0824424 0.9952219 0.2735785 ] [ 5.2423126 2.9617843 0.0493836 ] [ 3.8910851 3.9383851 1.6252535 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.731242e-10 1.9718099e-10 1.849479e-10 ] [ 4.0824424e-10 9.952219000000001e-11 2.735785e-11 ] [ 5.2423126e-10 2.9617843e-10 4.93836e-12 ] [ 3.8910851e-10 3.9383851e-10 1.6252535e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.3e-06 8.6e-06 -1.47e-05 ] [ 9.5e-06 -5.3e-06 8.8e-06 ] [ -1.7e-05 1.6e-06 -3.7e-06 ] [ 8.8e-06 -4.8e-06 9.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.08282960704e-15 1.377871893888e-14 -2.355199632576e-14 ] [ 1.52206778976e-14 -8.491536090240001e-15 1.409915426304e-14 ] [ -2.72370025536e-14 2.56348259328e-15 -5.928053496960001e-15 ] [ 1.409915426304e-14 -7.69044777984e-15 1.538089555968e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.5960346 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.056801242610788e-18 } }