{ "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" [ [ 1.517632 2.497403 2.430037 ] [ 2.356059 3.814055 4.10925 ] [ 3.523853 1.378281 0.7370457 ] [ 5.112372 2.112569 2.363129 ] [ 3.211069 1.305526 3.310768 ] [ 3.335071 3.69898 1.575396 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.517632e-10 2.497403e-10 2.430037e-10 ] [ 2.356059e-10 3.814055e-10 4.109250000000001e-10 ] [ 3.523853e-10 1.378281e-10 7.370457e-11 ] [ 5.112372e-10 2.112569e-10 2.363129e-10 ] [ 3.211069e-10 1.305526e-10 3.310768e-10 ] [ 3.335071e-10 3.69898e-10 1.575396e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4664034 -0.3263221 -1.4805547 ] [ 0.9002547 0.6156073 1.0160395 ] [ -0.5921733 -1.456434 -2.5090898 ] [ 3.4684069 1.014174 0.3074267 ] [ -0.2479877 -3.3699575 4.0854418 ] [ 0.9379029 3.5229322 -1.4192635 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.15596710654163e-09 -5.228256394703597e-10 -2.372110126155557e-09 ] [ 1.442367033105318e-09 9.86311623653812e-10 1.627874732709322e-09 ] [ -9.487662167219847e-10 -2.333464504538227e-09 -4.020005017047748e-09 ] [ 5.557000446601404e-09 1.624885872223219e-09 4.925518713496954e-10 ] [ -3.973200951859642e-10 -5.399267119589616e-09 6.54559933759907e-09 ] [ 1.50268609896052e-09 5.64435960750351e-09 -2.273910798454781e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.322341 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.814039004292529e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2604468 2.3928508 2.1032282 ] [ 2.3947508 3.6964823 4.0526326 ] [ 3.2736976 1.3339371 0.8458991 ] [ 5.3305862 2.1523279 2.2191291 ] [ 3.2989035 1.3647654 3.5466812 ] [ 3.497671 3.8664505 1.7580554 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2604468e-10 2.3928508e-10 2.1032282e-10 ] [ 2.3947508e-10 3.6964823e-10 4.0526326e-10 ] [ 3.2736976e-10 1.3339371e-10 8.458991e-11 ] [ 5.3305862e-10 2.1523279e-10 2.2191291e-10 ] [ 3.2989035e-10 1.3647654e-10 3.5466812e-10 ] [ 3.497671e-10 3.8664505e-10 1.7580554e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.96e-05 -2.27e-05 -5.5e-06 ] [ 6.4e-06 1.55e-05 2e-06 ] [ 3e-07 2.03e-05 7.1e-06 ] [ -1.2e-06 -7.7e-06 -1.03e-05 ] [ -1.79e-05 -6.1e-06 5.1e-06 ] [ -7.2e-06 7e-07 1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.140266176767999e-14 -3.636940929216e-14 -8.8119714144e-15 ] [ 1.025393037312e-14 2.48337376224e-14 3.2043532416e-15 ] [ 4.8065298624e-16 3.252418540224e-14 1.137545400768e-14 ] [ -1.92261194496e-15 -1.233675998016e-14 -1.650241919424e-14 ] [ -2.867896151232001e-14 -9.77327738688e-15 8.17110076608e-15 ] [ -1.153567166976e-14 1.12152363456e-15 2.56348259328e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.22977 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.119642819256122e-18 } }