{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7640885 -1.321978 -2.4838035 ] [ -2.6041841 -1.8498229 1.7856034 ] [ -2.1461097 4.2322365 -2.1131335 ] [ 2.1270502 -0.004867 -0.7740806 ] [ 2.2034513 -3.8964699 1.6948969 ] [ 0.7360149 0.9641943 -0.5668119 ] [ 2.4478659 1.8767071 2.4573291 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.428557972522141e-09 -2.118042244811942e-09 -3.979491898361213e-09 ] [ -4.17236288127909e-09 -2.963743003000456e-09 2.860852021500991e-09 ] [ -3.438446787012101e-09 6.78079037399642e-09 -3.385613090329277e-09 ] [ 3.407910101707964e-09 -7.7977936134336e-12 -1.240213839934837e-09 ] [ 3.530318157931367e-09 -6.242832977430914e-09 2.715524187846396e-09 ] [ 1.17922586534045e-09 1.544809565368621e-09 -9.081327745712275e-10 ] [ 3.921913515833551e-09 3.006816239709368e-09 3.937075233631505e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.72944 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.359916440547635e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0163797 2.5176527 1.8932386 ] [ 1.9485025 1.7653268 4.0765029 ] [ 2.1948213 4.8082663 2.1350871 ] [ 4.2961355 2.403552 2.0036398 ] [ 4.2518688 1.8650883 4.2241339 ] [ 4.4761965 4.6363501 2.4560534 ] [ 4.6494647 4.0917277 4.6944924 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0163797e-10 2.5176527e-10 1.8932386e-10 ] [ 1.9485025e-10 1.7653268e-10 4.0765029e-10 ] [ 2.1948213e-10 4.8082663e-10 2.1350871e-10 ] [ 4.2961355e-10 2.403552e-10 2.0036398e-10 ] [ 4.2518688e-10 1.8650883e-10 4.2241339e-10 ] [ 4.4761965e-10 4.6363501e-10 2.4560534e-10 ] [ 4.6494647e-10 4.0917277e-10 4.6944924e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.7e-06 -2e-06 6e-07 ] [ 0.0 5e-06 -4e-07 ] [ 9e-07 5.5e-06 6.7e-06 ] [ 2e-06 -1.77e-05 2.1e-06 ] [ 9e-07 -1.1e-06 -9.4e-06 ] [ -4.5e-06 6.3e-06 3e-07 ] [ -5e-06 4e-06 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.13240673856e-15 -3.2043532416e-15 9.6130597248e-16 ] [ 0.0 8.010883104e-15 -6.408706483200001e-16 ] [ 1.44195895872e-15 8.8119714144e-15 1.073458335936e-14 ] [ 3.2043532416e-15 -2.835852618816e-14 3.36457090368e-15 ] [ 1.44195895872e-15 -1.76239428288e-15 -1.506046023552e-14 ] [ -7.2097947936e-15 1.009371271104e-14 4.8065298624e-16 ] [ -8.010883104e-15 6.4087064832e-15 1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }