{ "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" [ [ 0.6660422 0.1321237 2.521111 ] [ 1.154832 2.450071 0.6217319 ] [ 0.2052378 1.707228 1.69737 ] [ 2.767871 1.123615 2.427941 ] [ 1.781428 1.004966 1.555643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.660422e-11 1.321237e-11 2.521111e-10 ] [ 1.154832e-10 2.450071e-10 6.217319e-11 ] [ 2.052378e-11 1.707228e-10 1.69737e-10 ] [ 2.767871e-10 1.123615e-10 2.427941e-10 ] [ 1.781428e-10 1.004966e-10 1.555643e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.0427752 -22.4525266 16.5244826 ] [ 6.3242594 23.3789338 -24.0401072 ] [ -37.8568766 9.4715718 9.0935473 ] [ 57.8614811 5.4115459 44.9182902 ] [ -13.2860886 -15.809525 -46.496213 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.089682949579005e-08 -3.597291319641011e-08 2.64751396925364e-08 ] [ 1.013258055455464e-08 3.74571811535909e-08 -3.851649771736576e-08 ] [ -6.06534026250306e-08 1.517513090018857e-08 1.456946888419896e-08 ] [ 9.270431226328107e-08 8.670252323366096e-09 7.196703440474976e-08 ] [ -2.12866605367974e-08 -2.532965134095312e-08 -7.449514542433703e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 30.581668 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.89972334946675e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7482757 0.2380133 2.6847687 ] [ 0.9492663 2.4948521 0.3045205 ] [ -0.4532485 2.0244243 2.0027902 ] [ 3.0075593 0.8944507 3.0547016 ] [ 2.3235582 0.7662632 0.7770158 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.482757000000001e-11 2.380133e-11 2.6847687e-10 ] [ 9.492663000000001e-11 2.4948521e-10 3.045205e-11 ] [ -4.532485e-11 2.0244243e-10 2.0027902e-10 ] [ 3.0075593e-10 8.944507000000001e-11 3.0547016e-10 ] [ 2.3235582e-10 7.662632e-11 7.770158000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.91e-05 2.32e-05 -3.99e-05 ] [ -4.89e-05 4.7e-06 8e-06 ] [ 4.57e-05 -1.29e-05 -1.01e-05 ] [ 3.38e-05 -1e-07 3.02e-05 ] [ -1.6e-06 -1.48e-05 1.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.662333966527999e-14 3.717049760256e-14 -6.392684716992e-14 ] [ -7.834643675712001e-14 7.53023011776e-15 1.28174129664e-14 ] [ 7.321947157056e-14 -2.066807840832e-14 -1.618198387008e-14 ] [ 5.415356978304e-14 -1.6021766208e-16 4.838573394816e-14 ] [ -2.56348259328e-15 -2.371221398784e-14 1.890568412544e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.4764858 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.358082737530319e-18 } }