{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8888047 2.050538 1.655197 ] [ 2.913325 1.361036 3.047712 ] [ 2.022581 2.448681 4.72594 ] [ 1.815806 3.470528 2.839754 ] [ 4.233041 2.418243 4.364549 ] [ 4.034854 4.068796 2.809397 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.888047000000001e-11 2.050538e-10 1.655197e-10 ] [ 2.913325e-10 1.361036e-10 3.047712e-10 ] [ 2.022581e-10 2.448681e-10 4.72594e-10 ] [ 1.815806e-10 3.470528e-10 2.839754e-10 ] [ 4.233041e-10 2.418243e-10 4.364549e-10 ] [ 4.034854000000001e-10 4.068796e-10 2.809397e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -27.1646626 -49.144905 -38.6450931 ] [ -9.4110977 -52.8573966 -49.9536549 ] [ -30.4245662 6.5630042 42.3199922 ] [ 13.2051203 72.529904 23.7118915 ] [ 47.9172195 14.4811401 29.7368057 ] [ 5.8779867 8.4282533 -7.1699414 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.352258732964014e-08 -7.873881782243703e-08 -6.19162646734594e-08 ] [ -1.507824071100465e-08 -8.468688506887342e-08 -8.003457800429135e-08 ] [ -4.87455286636219e-08 1.051509189145221e-08 6.780410209527836e-08 ] [ 2.115693501951148e-08 1.162057164976684e-07 3.799063819624624e-08 ] [ 7.677184881664187e-08 2.320134411074937e-08 4.764361486981218e-08 ] [ 9.417572868113344e-09 1.350355039144045e-08 -1.148751248358602e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 10.34873 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.658049326097158e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1560227 1.919381 1.1029761 ] [ 2.4591796 0.9553597 3.1439389 ] [ 2.0679622 2.5447472 5.3113599 ] [ 1.6828461 3.6334151 2.9667866 ] [ 4.4467533 2.3440117 4.1791227 ] [ 4.0956477 4.4209075 2.7383648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1560227e-10 1.919381e-10 1.1029761e-10 ] [ 2.4591796e-10 9.553597e-11 3.1439389e-10 ] [ 2.0679622e-10 2.5447472e-10 5.3113599e-10 ] [ 1.6828461e-10 3.6334151e-10 2.9667866e-10 ] [ 4.4467533e-10 2.3440117e-10 4.1791227e-10 ] [ 4.0956477e-10 4.420907500000001e-10 2.7383648e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.8e-06 2.7e-05 1.06e-05 ] [ 1.77e-05 -2.65e-05 2.62e-05 ] [ -2.01e-05 -1.4e-05 1.89e-05 ] [ -4.1e-05 1.18e-05 -3.7e-05 ] [ 2.44e-05 -2.92e-05 3.3e-06 ] [ 1.72e-05 3.08e-05 -2.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.88391791744e-15 4.32587687616e-14 1.698307218048e-14 ] [ 2.835852618816e-14 -4.24576804512e-14 4.197702746496e-14 ] [ -3.220375007808e-14 -2.24304726912e-14 3.028113813312e-14 ] [ -6.56892414528e-14 1.890568412544e-14 -5.92805349696e-14 ] [ 3.909310954752e-14 -4.678355732736e-14 5.28718284864e-15 ] [ 2.755743787776e-14 4.934703992064001e-14 -3.508766799552e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.252088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.244742191598423e-18 } }