{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.3527209 0.4565602 1.167471 ] [ 0.6414148 2.926013 0.4472085 ] [ 0.2560781 2.125953 2.651252 ] [ 2.793307 0.1807352 2.367537 ] [ 2.546309 2.149048 0.8335699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.527209e-11 4.565602e-11 1.167471e-10 ] [ 6.414148e-11 2.926013000000001e-10 4.472085e-11 ] [ 2.560781e-11 2.125953e-10 2.651252e-10 ] [ 2.793307e-10 1.807352e-11 2.367537e-10 ] [ 2.546309e-10 2.149048e-10 8.335699e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.865675 0.6732071 -0.9026084 ] [ -4.3062272 0.4444643 -0.6937831 ] [ 3.058138 0.2332535 0.1687005 ] [ -3.8895224 2.2444491 -1.4912468 ] [ 1.2719366 -3.5953739 2.9189378 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.193494108611039e-09 1.078596676576568e-09 -1.446138076217695e-09 ] [ -6.899336543693046e-09 7.121103102402374e-10 -1.111563062726148e-09 ] [ 4.899677206780071e-09 3.737133044197729e-10 2.702879970172704e-10 ] [ -6.231701855357906e-09 3.596003874595602e-09 -2.389240758802814e-09 ] [ 2.037867083659842e-09 -5.760424005614517e-09 4.676653900729386e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.061958 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.252974035027153e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6368351 0.5032515 0.8559042 ] [ 0.2817638 2.8594223 0.4437206 ] [ 0.8012808 2.1238907 2.6879669 ] [ 2.354167 0.2758964 2.5430857 ] [ 2.5157832 2.0758485 0.9363609 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.368351e-11 5.032515e-11 8.559042000000001e-11 ] [ 2.817638e-11 2.8594223e-10 4.437206e-11 ] [ 8.012808e-11 2.1238907e-10 2.6879669e-10 ] [ 2.354167e-10 2.758964e-11 2.5430857e-10 ] [ 2.5157832e-10 2.0758485e-10 9.363609e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.18e-05 -1.93e-05 -3.65e-05 ] [ 3.9e-06 1.6e-05 3.43e-05 ] [ -3.04e-05 1.31e-05 -7.2e-06 ] [ 3.04e-05 -2.04e-05 5.56e-05 ] [ 1.8e-05 1.05e-05 -4.62e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.492745033344e-14 -3.092200878144e-14 -5.84794466592e-14 ] [ 6.24848882112e-15 2.56348259328e-14 5.495465809344e-14 ] [ -4.870616927232e-14 2.098851373248e-14 -1.153567166976e-14 ] [ 4.870616927232e-14 -3.268440306432e-14 8.908102011648e-14 ] [ 2.88391791744e-14 1.68228545184e-14 -7.402055988096e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.096417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.899365623764767e-18 } }