{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6225065 -6.6109013 1.1593676 ] [ -3.0165963 3.2757835 -2.8291062 ] [ -7.7756401 6.4453064 -1.4609863 ] [ 5.0638687 -1.1860345 5.4481137 ] [ -6.7835633 4.9200775 -5.2538564 ] [ 8.1455585 -2.6448603 -4.6055721 ] [ 3.743866 -4.1993714 7.5420396 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.973653688131208e-10 -1.059183159254022e-08 1.857511678936658e-09 ] [ -4.833120106070853e-09 5.248383781742738e-09 -4.532727848744531e-09 ] [ -1.245794888261342e-08 1.032651931305066e-08 -2.340758112454114e-09 ] [ 8.113212108783954e-09 -1.900236763017873e-09 8.728840469515286e-09 ] [ -1.086846661451993e-08 7.882833207969134e-09 -8.417605962471356e-09 ] [ 1.305062349958009e-08 -4.23753337285423e-09 -7.37894000482231e-09 ] [ 5.998334626027044e-09 -6.728134734567867e-09 1.20836796198227e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -22.749119 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.644810690588545e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3823392 2.0669867 2.8081636 ] [ 2.488366 3.7841053 0.9361087 ] [ 2.1593302 4.5578827 3.2664732 ] [ 4.1331818 1.9317908 0.9695182 ] [ 4.8206844 1.5607623 3.3205398 ] [ 4.4986046 3.9403416 2.4849454 ] [ 3.6007807 3.1837835 4.7401344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3823392e-10 2.0669867e-10 2.8081636e-10 ] [ 2.488366e-10 3.7841053e-10 9.361087e-11 ] [ 2.1593302e-10 4.5578827e-10 3.2664732e-10 ] [ 4.1331818e-10 1.9317908e-10 9.695182e-11 ] [ 4.820684400000001e-10 1.5607623e-10 3.3205398e-10 ] [ 4.4986046e-10 3.9403416e-10 2.4849454e-10 ] [ 3.6007807e-10 3.1837835e-10 4.7401344e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.72e-05 9.87e-05 1.16e-05 ] [ 7.91e-05 1.77e-05 2.45e-05 ] [ 5.62e-05 -3.64e-05 2.8e-06 ] [ -5.1e-06 2.8e-06 7.22e-05 ] [ -2.1e-06 7.86e-05 -4.92e-05 ] [ -0.000219 -0.0001541 3.41e-05 ] [ 3.6e-06 -7.4e-06 -9.59e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.397098024848e-13 1.581348337758e-13 1.85852489544e-14 ] [ 1.267321717494e-13 2.83585264218e-14 3.925332753299999e-14 ] [ 9.004232683079999e-14 -5.831922947759999e-14 4.486094575199999e-15 ] [ -8.1711008334e-15 4.486094575199999e-15 1.156771529748e-13 ] [ -3.364570931399999e-15 1.259310834324e-13 -7.882709039280001e-14 ] [ -3.50876682846e-13 -2.468954192994e-13 5.46342232194e-14 ] [ 5.767835882399999e-15 -1.18561070916e-14 -1.536487392006e-13 ] ] } "relaxed-potential-energy" { "source-value" -28.041216 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.492698106414694e-18 } }