{ "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" [ [ 1.715482 1.558119 0.3191032 ] [ 2.111919 2.384646 2.793656 ] [ 0.6473775 3.949576 0.9928713 ] [ 3.842985 1.188798 1.171985 ] [ 3.145034 3.056438 0.3971002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.715482e-10 1.558119e-10 3.191032e-11 ] [ 2.111919e-10 2.384646e-10 2.793656e-10 ] [ 6.473775000000001e-11 3.949576e-10 9.928713000000001e-11 ] [ 3.842985e-10 1.188798e-10 1.171985e-10 ] [ 3.145034e-10 3.056438e-10 3.971002e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.793956 -13.7589723 -3.9421584 ] [ -0.4917889 -0.0816719 2.9278136 ] [ -0.8427863 0.8347519 -0.1817266 ] [ 9.8798686 -12.0118182 6.2701854 ] [ 10.2486626 25.0177106 -5.0741141 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.011123691554388e-08 -2.204430374529481e-08 -6.316034023970334e-09 ] [ -7.87932677948949e-10 -1.308528087563155e-10 4.690874499980283e-09 ] [ -1.350292506190535e-09 1.33741997834838e-09 -2.911581098974733e-10 ] [ 1.582929448749603e-08 -1.924505429333994e-08 1.00459444559615e-08 ] [ 1.642016761218734e-08 4.008279102926034e-08 -8.129626982291634e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.9952437 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.401086050538489e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.4936066 1.5801482 0.6403494 ] [ 1.9824216 1.6581277 3.2169061 ] [ 0.8998724 4.1344171 0.7230884 ] [ 3.9174635 1.5268906 1.4087862 ] [ 3.1694334 3.2379933 -0.3144144 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4936066e-10 1.5801482e-10 6.403493999999999e-11 ] [ 1.9824216e-10 1.6581277e-10 3.2169061e-10 ] [ 8.998724e-11 4.1344171e-10 7.230884e-11 ] [ 3.9174635e-10 1.5268906e-10 1.4087862e-10 ] [ 3.1694334e-10 3.2379933e-10 -3.144144e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.11e-05 -1.37e-05 -1.22e-05 ] [ -9.9e-06 1.64e-05 -1e-07 ] [ -4.5e-06 1e-07 2.6e-05 ] [ -5.5e-06 -8e-07 0.0 ] [ 8.7e-06 -2e-06 -1.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.778416049088e-14 -2.194981970496e-14 -1.954655477376e-14 ] [ -1.586154854592e-14 2.627569658112e-14 -1.6021766208e-16 ] [ -7.2097947936e-15 1.6021766208e-16 4.16565921408e-14 ] [ -8.8119714144e-15 -1.28174129664e-15 0.0 ] [ 1.393893660096e-14 -3.2043532416e-15 -2.194981970496e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.498488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.842260864814935e-18 } }