{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.2044989 -2.5801917 -4.8223702 ] [ -8.4945484 2.5382163 32.6600433 ] [ -14.2262642 6.4798233 -8.6607253 ] [ -5.6098331 -32.4849216 -5.7898492 ] [ 16.4258847 2.142736 -21.8634151 ] [ -10.0167328 20.1036892 4.0319704 ] [ 30.1259927 3.8006484 4.444346 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.314505632295932e-08 -4.133922818922208e-09 -7.72628879128262e-09 ] [ -1.360976685073405e-08 4.066670814393479e-09 5.232715780957568e-08 ] [ -2.279298790256401e-08 1.03818213981751e-08 -1.387601159483107e-08 ] [ -8.987943439409989e-09 -5.204658191604093e-08 -9.276361026197583e-09 ] [ 2.631716844229643e-08 3.433041523746509e-09 -3.50290525240657e-08 ] [ -1.604857510896052e-08 3.220966082806946e-08 6.459928710637624e-09 ] [ 4.826716118233147e-08 6.089310010360926e-09 7.120627255945998e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.5615155 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.706176868716823e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6919585 2.3840357 1.5868695 ] [ 2.4393897 2.5520547 5.1117 ] [ 1.2165473 4.0116866 3.4557591 ] [ 3.4694043 1.2111472 3.111543 ] [ 4.1440889 3.2963408 1.4671184 ] [ 3.3276018 5.2971737 2.946849 ] [ 4.7118414 3.4239673 4.1445781 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6919585e-10 2.3840357e-10 1.5868695e-10 ] [ 2.4393897e-10 2.5520547e-10 5.1117e-10 ] [ 1.2165473e-10 4.0116866e-10 3.4557591e-10 ] [ 3.4694043e-10 1.2111472e-10 3.111543e-10 ] [ 4.1440889e-10 3.2963408e-10 1.4671184e-10 ] [ 3.3276018e-10 5.297173700000001e-10 2.946849e-10 ] [ 4.711841400000001e-10 3.4239673e-10 4.144578100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.74e-05 -1.38e-05 1.8e-05 ] [ 8.7e-06 -1.09e-05 -3.9e-06 ] [ 9.4e-06 1.25e-05 -3.3e-06 ] [ -1.83e-05 5.8e-06 -3.4e-06 ] [ 7.7e-06 1.04e-05 2.1e-05 ] [ -1.04e-05 7.1e-06 -7.2e-06 ] [ -1.45e-05 -1.11e-05 -2.13e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.787787320192e-14 -2.211003736704e-14 2.88391791744e-14 ] [ 1.393893660096e-14 -1.746372516672e-14 -6.24848882112e-15 ] [ 1.506046023552e-14 2.002720776e-14 -5.28718284864e-15 ] [ -2.931983216064e-14 9.292624400640001e-15 -5.44740051072e-15 ] [ 1.233675998016e-14 1.666263685632e-14 3.36457090368e-14 ] [ -1.666263685632e-14 1.137545400768e-14 -1.153567166976e-14 ] [ -2.32315610016e-14 -1.778416049088e-14 -3.412636202304e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.044153 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.852297980353818e-18 } }