{ "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" [ [ 0.3890178 0.3060136 0.2686133 ] [ 1.00003 0.111897 2.250713 ] [ 0.4846776 2.300953 2.298336 ] [ 2.957925 0.3909324 0.2522672 ] [ 2.37443 2.221414 1.416157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.890178e-11 3.060136e-11 2.686133e-11 ] [ 1.00003e-10 1.11897e-11 2.250713e-10 ] [ 4.846776e-11 2.300953e-10 2.298336e-10 ] [ 2.957925e-10 3.909324e-11 2.522672e-11 ] [ 2.37443e-10 2.221414e-10 1.416157e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5740866 -2.3865626 -0.5381968 ] [ -6.4725921 -3.8785729 3.4341355 ] [ 2.5787378 0.1721264 0.0596776 ] [ 0.8186498 -0.6823045 -3.6364912 ] [ 1.5011178 6.7753135 0.6808749 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.521964749634562e-09 -3.823694801795662e-09 -8.622863303493735e-10 ] [ -1.037023573859478e-08 -6.214158822448456e-09 5.502091610759318e-09 ] [ 4.131593414333226e-09 2.757768939024692e-10 9.561405550545407e-11 ] [ 1.311621570182596e-09 -1.093172318166634e-09 -5.826301182384937e-09 ] [ 2.40505584422673e-09 1.085524888829062e-08 1.090881846469538e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.8430867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.256601014564742e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9708921 -0.4569742 0.3817951 ] [ 0.0345994 0.2821608 2.1838016 ] [ 1.0422073 2.1048702 2.7605801 ] [ 2.5571535 0.9089234 -0.1551326 ] [ 2.6012282 2.4922299 1.3150423 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.708921000000001e-11 -4.569742e-11 3.817951e-11 ] [ 3.45994e-12 2.821608e-11 2.1838016e-10 ] [ 1.0422073e-10 2.1048702e-10 2.7605801e-10 ] [ 2.5571535e-10 9.089234e-11 -1.551326e-11 ] [ 2.6012282e-10 2.4922299e-10 1.3150423e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.1e-06 1.17e-05 5.6e-06 ] [ 6.6e-06 3e-06 -2.2e-06 ] [ -8.2e-06 -9e-06 -0.0 ] [ -3e-06 1e-07 6.2e-06 ] [ 2.5e-06 -5.9e-06 -9.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.36457090368e-15 1.874546646336e-14 8.972189076479999e-15 ] [ 1.057436569728e-14 4.8065298624e-15 -3.52478856576e-15 ] [ -1.313784829056e-14 -1.44195895872e-14 0.0 ] [ -4.8065298624e-15 1.6021766208e-16 9.93349504896e-15 ] [ 4.005441552e-15 -9.45284206272e-15 -1.52206778976e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.012367 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.924593356786943e-18 } }