{ "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" [ [ 2.06977 2.12479 1.528563 ] [ 2.041317 1.533814 3.912889 ] [ 1.700439 5.299543 2.410292 ] [ 0.6511626 3.199571 3.041419 ] [ 2.983959 3.688065 3.444542 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.06977e-10 2.12479e-10 1.528563e-10 ] [ 2.041317e-10 1.533814e-10 3.912889e-10 ] [ 1.700439e-10 5.299543e-10 2.410292e-10 ] [ 6.511626e-11 3.199571e-10 3.041419e-10 ] [ 2.983959e-10 3.688065e-10 3.444542e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 25.9694035 -12.7989334 -39.7021052 ] [ 15.1294582 -42.7449197 34.2526722 ] [ -19.6372282 30.9926415 -16.2386929 ] [ -104.3604293 28.3220658 2.2037972 ] [ 82.8987958 -3.7708541 19.4843286 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.160757114382169e-08 -2.050615186465625e-08 -6.36097847479821e-08 ] [ 2.424006421341085e-08 -6.848491100131335e-08 5.48788305987661e-08 ] [ -3.146230791935446e-08 4.965568562813585e-08 -2.601725411673095e-08 ] [ -1.672038399611113e-07 4.537695167751925e-08 3.530872350824502e-09 ] [ 1.328185125232332e-07 -6.041574279467827e-09 3.12173357549048e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 41.209891 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.602552390591634e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2591959 2.0276037 1.195697 ] [ 1.8950957 1.8314249 4.4313376 ] [ 1.5589658 5.3496646 2.9625594 ] [ -0.1173747 3.0284387 2.6332029 ] [ 3.8507649 3.6086511 3.1149081 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2591959e-10 2.0276037e-10 1.195697e-10 ] [ 1.8950957e-10 1.8314249e-10 4.4313376e-10 ] [ 1.5589658e-10 5.3496646e-10 2.9625594e-10 ] [ -1.173747e-11 3.0284387e-10 2.6332029e-10 ] [ 3.8507649e-10 3.6086511e-10 3.1149081e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.9e-06 4.4e-06 1.33e-05 ] [ -4.7e-06 8.3e-06 -1.02e-05 ] [ 4e-07 -9.8e-06 3.9e-06 ] [ 3.1e-06 -5.1e-06 -4.4e-06 ] [ 9.1e-06 2.3e-06 -2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.265719530432e-14 7.04957713152e-15 2.130894905664e-14 ] [ -7.53023011776e-15 1.329806595264e-14 -1.634220153216e-14 ] [ 6.408706483200001e-16 -1.570133088384e-14 6.24848882112e-15 ] [ 4.96674752448e-15 -8.17110076608e-15 -7.04957713152e-15 ] [ 1.457980724928e-14 3.68500622784e-15 -4.16565921408e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.133456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.943993953270549e-18 } }