{ "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" [ [ 1.98485 2.119324 1.827991 ] [ 0.9744942 2.30107 3.805126 ] [ 2.339547 3.991011 2.574302 ] [ 4.37234 1.986188 1.289197 ] [ 3.548577 1.396458 3.420144 ] [ 4.317537 3.428201 2.979668 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.98485e-10 2.119324e-10 1.827991e-10 ] [ 9.744942e-11 2.30107e-10 3.805126e-10 ] [ 2.339547e-10 3.991011e-10 2.574302e-10 ] [ 4.37234e-10 1.986188e-10 1.289197e-10 ] [ 3.548577e-10 1.396458e-10 3.420144e-10 ] [ 4.317537e-10 3.428201e-10 2.979668e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3796217 -4.4467686 -5.6678639 ] [ -1.5718148 -0.6045094 2.4713747 ] [ -2.0599679 7.0886187 0.1666305 ] [ 2.2181562 -1.2765171 -4.0589694 ] [ 0.461173 -5.0801282 4.3858117 ] [ 5.3320753 4.3193046 2.7030165 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.016927495688352e-09 -7.124508689027547e-09 -9.08091903045631e-09 ] [ -2.518324924787428e-09 -9.685308277338355e-10 3.959578765576614e-09 ] [ -3.300432408978473e-09 1.135721915490569e-08 2.669714914122144e-10 ] [ 3.553878004922569e-09 -2.045205853671416e-09 -6.503185877222603e-09 ] [ 7.388805987441985e-10 -8.139262632706786e-09 7.026844968971103e-09 ] [ 8.542926386005147e-09 6.920288848233895e-09 4.330709841936643e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1633619 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.307914758330947e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8538035 2.3076059 1.2010763 ] [ 1.4547928 2.0496528 3.5983414 ] [ 2.1994449 4.2003161 2.7079854 ] [ 4.027557 1.6766369 1.4949527 ] [ 3.6285479 1.4186862 3.8922137 ] [ 4.373199 3.569354 3.0018585 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8538035e-10 2.3076059e-10 1.2010763e-10 ] [ 1.4547928e-10 2.0496528e-10 3.5983414e-10 ] [ 2.1994449e-10 4.2003161e-10 2.7079854e-10 ] [ 4.027557e-10 1.6766369e-10 1.4949527e-10 ] [ 3.6285479e-10 1.4186862e-10 3.8922137e-10 ] [ 4.373199e-10 3.569354e-10 3.0018585e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.06e-05 -6.6e-06 -3e-06 ] [ 5.2e-06 -5.9e-06 -8.8e-06 ] [ -1.13e-05 1.86e-05 -2.9e-06 ] [ -3.1e-06 4.9e-06 8.7e-06 ] [ 5e-06 -2.1e-06 2.3e-06 ] [ 1.48e-05 -8.9e-06 3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.698307218048e-14 -1.057436569728e-14 -4.8065298624e-15 ] [ 8.33131842816e-15 -9.45284206272e-15 -1.409915426304e-14 ] [ -1.810459581504e-14 2.980048514688e-14 -4.646312200320001e-15 ] [ -4.96674752448e-15 7.850665441919999e-15 1.393893660096e-14 ] [ 8.010883104e-15 -3.36457090368e-15 3.68500622784e-15 ] [ 2.371221398784e-14 -1.425937192512e-14 5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }