{ "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" [ [ 1.135722 0.0671856 0.8418581 ] [ 1.330168 2.113646 0.0657344 ] [ 0.0470942 1.897018 2.992181 ] [ 2.611886 0.9021473 0.0602941 ] [ 2.88133 0.1204436 1.620481 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.135722e-10 6.71856e-12 8.418581000000001e-11 ] [ 1.330168e-10 2.113646e-10 6.57344e-12 ] [ 4.70942e-12 1.897018e-10 2.992181e-10 ] [ 2.611886e-10 9.021473000000001e-11 6.02941e-12 ] [ 2.88133e-10 1.204436e-11 1.620481e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -26.9125998 -13.6054264 6.174255 ] [ -18.0218347 25.3142449 -4.9196236 ] [ 1.2489957 -1.242047 -2.8643836 ] [ 24.9050683 2.9840582 -25.4568587 ] [ 18.7803705 -13.4508297 27.0666109 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.311873820450675e-08 -2.179829609409511e-08 9.892247011857503e-09 ] [ -2.887416222026218e-08 4.055789135198563e-08 -7.882105915055933e-09 ] [ 2.001111710019731e-09 -1.989978665334778e-09 -4.589248436922939e-09 ] [ 3.99023181696872e-08 4.780988283146531e-09 -4.078638384814908e-08 ] [ 3.008947054506201e-08 -2.155060487570228e-08 4.336549118827045e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 13.689371 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.193279016965752e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8458816 -0.3313426 2.3832067 ] [ 1.2815265 2.8076618 0.2765661 ] [ -0.1382082 1.7258174 1.8079742 ] [ 3.1431168 1.4191511 -0.0945914 ] [ 2.8738835 -0.5208471 1.207393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.458816e-11 -3.313426e-11 2.3832067e-10 ] [ 1.2815265e-10 2.8076618e-10 2.765661e-11 ] [ -1.382082e-11 1.7258174e-10 1.8079742e-10 ] [ 3.1431168e-10 1.4191511e-10 -9.459140000000002e-12 ] [ 2.8738835e-10 -5.208471e-11 1.207393e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.39e-05 -2.1e-06 -1.06e-05 ] [ -1.7e-06 -2.47e-05 1.78e-05 ] [ -2.77e-05 3.01e-05 -3.4e-06 ] [ 8.4e-06 -9e-07 -5e-06 ] [ -2.8e-06 -2.3e-06 1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.829202123712e-14 -3.36457090368e-15 -1.698307218048e-14 ] [ -2.72370025536e-15 -3.957376253376001e-14 2.851874385024e-14 ] [ -4.438029239616e-14 4.822551628608e-14 -5.44740051072e-15 ] [ 1.345828361472e-14 -1.44195895872e-15 -8.010883104e-15 ] [ -4.48609453824e-15 -3.68500622784e-15 1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.57084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853852933101747e-18 } }