{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.248369 0.1750326 1.959235 ] [ 0.2041437 1.690187 0.8451771 ] [ 0.5672117 2.337944 2.235934 ] [ 2.305261 0.0188332 0.1900716 ] [ 2.629759 0.4646214 2.471997 ] [ 1.518408 2.931316 1.102854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.248369e-10 1.750326e-11 1.959235e-10 ] [ 2.041437e-11 1.690187e-10 8.451771e-11 ] [ 5.672117e-11 2.337944e-10 2.235934e-10 ] [ 2.305261e-10 1.88332e-12 1.900716e-11 ] [ 2.629759e-10 4.646214e-11 2.471997e-10 ] [ 1.518408e-10 2.931316e-10 1.102854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -56.5294325 -26.6508107 -9.3016518 ] [ -25.8729883 -28.9197009 -46.8062218 ] [ -18.3766672 8.3841532 71.358702 ] [ 2.6852706 -0.7730944 -6.7542449 ] [ 58.8619229 8.2694476 22.2579575 ] [ 39.2318945 39.6900053 -30.7545409 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.057013588478019e-08 -4.269930618069718e-08 -1.490288917156404e-08 ] [ -4.145309730601538e-08 -4.633446904424876e-08 -7.499183489378142e-08 ] [ -2.94426667986342e-08 1.343289435291633e-08 1.14329244976969e-07 ] [ 4.30227781128716e-09 -1.238633783556249e-09 -1.082149335909367e-08 ] [ 9.430719750268952e-08 1.324911572080738e-08 3.566117942706505e-08 ] [ 6.285642467545312e-08 6.359039909499615e-08 -4.927420681937733e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 27.356177 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.382942758496821e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8447333 0.0869094 2.3048247 ] [ 0.415963 1.521605 0.298791 ] [ 0.3268956 2.4134546 2.6514676 ] [ 2.2781164 -0.0047381 0.2371266 ] [ 3.2256058 -0.0190983 2.4167732 ] [ 1.3818384 3.6198016 0.8962856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.447333e-11 8.69094e-12 2.3048247e-10 ] [ 4.159630000000001e-11 1.521605e-10 2.98791e-11 ] [ 3.268956e-11 2.4134546e-10 2.6514676e-10 ] [ 2.2781164e-10 -4.738100000000001e-13 2.371266e-11 ] [ 3.2256058e-10 -1.90983e-12 2.4167732e-10 ] [ 1.3818384e-10 3.6198016e-10 8.962856e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.78e-05 -1.76e-05 4.94e-05 ] [ -9.9e-06 2.39e-05 -3.4e-06 ] [ -3.54e-05 2.58e-05 -3.66e-05 ] [ -1.17e-05 -2.22e-05 -8.66e-05 ] [ 7.02e-05 2.42e-05 3.65e-05 ] [ 2.45e-05 -3.42e-05 4.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.056227676519999e-14 -2.81983087584e-14 7.91475257196e-14 ] [ -1.58615486766e-14 3.82920215526e-14 -5.4474005556e-15 ] [ -5.671705284359999e-14 4.133615715719999e-14 -5.86396648044e-14 ] [ -1.87454666178e-14 -3.55683212748e-14 -1.387484965044e-13 ] [ 1.124727997068e-13 3.877267454279999e-14 5.847944714099999e-14 ] [ 3.925332753299999e-14 -5.479444088279999e-14 6.520858900379999e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.793348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.690590977223063e-18 } }