{ "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" [ [ 0.9561271 0.2009027 2.827783 ] [ 0.6408175 2.004915 2.928704 ] [ 2.494403 2.793601 0.1007886 ] [ 2.213716 1.735143 2.110523 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.561271000000001e-11 2.009027e-11 2.827783e-10 ] [ 6.408175e-11 2.004915e-10 2.928704e-10 ] [ 2.494403e-10 2.793601e-10 1.007886e-11 ] [ 2.213716e-10 1.735143e-10 2.110523e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 25.2802154 -248.3744604 -4.3511546 ] [ -309.2966469 277.6431074 150.5625332 ] [ -1.201953 3.0416286 -4.1502717 ] [ 285.2183845 -32.3102756 -142.0611069 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.050337008266812e-08 -3.979397536566955e-07 -6.971318173606376e-09 ] [ -4.955478565550129e-07 4.448332956025435e-07 2.412277706614638e-07 ] [ -1.925740995900422e-09 4.873226232076636e-09 -6.649468287707872e-09 ] [ 4.569702274682451e-07 -5.176676817792469e-08 -2.276069842001495e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 90.178676 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.44482166381898e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.9405919 -0.1066538 2.5994166 ] [ 0.2518495 2.2918147 3.3535747 ] [ 2.5588334 2.6495501 -0.1820613 ] [ 2.5537888 1.8998506 2.1968685 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.405919000000001e-11 -1.066538e-11 2.5994166e-10 ] [ 2.518495e-11 2.2918147e-10 3.3535747e-10 ] [ 2.5588334e-10 2.6495501e-10 -1.820613e-11 ] [ 2.5537888e-10 1.8998506e-10 2.1968685e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.83e-05 -3.73e-05 -6.4e-06 ] [ 1.63e-05 -3e-06 6.7e-06 ] [ 5.3e-06 -6.5e-06 -2.45e-05 ] [ 6.6e-06 4.69e-05 2.42e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.534159836864e-14 -5.976118795584e-14 -1.025393037312e-14 ] [ 2.611547891904e-14 -4.8065298624e-15 1.073458335936e-14 ] [ 8.491536090240001e-15 -1.04141480352e-14 -3.92533272096e-14 ] [ 1.057436569728e-14 7.514208351552e-14 3.877267422336e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.997029 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.92213593828596e-18 } }