{ "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" [ [ 0.7955699 1.924478 0.0578634 ] [ 0.2789322 2.342777 2.34838 ] [ 2.533834 0.6960937 0.5593318 ] [ 1.694509 0.4311754 2.932881 ] [ 2.816233 2.726519 1.407602 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.955699e-11 1.924478e-10 5.786340000000001e-12 ] [ 2.789322e-11 2.342777e-10 2.34838e-10 ] [ 2.533834e-10 6.960937e-11 5.593318000000001e-11 ] [ 1.694509e-10 4.311754e-11 2.932881e-10 ] [ 2.816233e-10 2.726519e-10 1.407602e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5109086 2.1269469 8.3717634 ] [ 5.5257031 -6.4719872 -7.35055 ] [ 1.2574237 0.0551689 0.4997823 ] [ -3.6657278 4.9490848 -1.5034633 ] [ 0.3935097 -0.6592134 -0.0175324 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.625095676685659e-09 3.407744596863036e-09 1.341304359434912e-08 ] [ 8.853152320302085e-09 -1.036926658195686e-08 -1.177687936002144e-08 ] [ 2.014614854579833e-09 8.839032177525312e-11 8.007395165496519e-10 ] [ -5.873143379376619e-09 7.929307960916644e-09 -2.408813749490817e-09 ] [ 6.304720413980219e-10 -1.056176297598079e-09 -2.809000138651392e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -5.070357 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.123607444509625e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6671167 1.6438233 0.3499544 ] [ -0.2640171 1.192354 2.2914069 ] [ 2.7375705 2.0725191 -0.2719699 ] [ 0.1970756 0.9022385 4.4279223 ] [ 4.7813325 2.3101082 0.5087446 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.671167e-11 1.6438233e-10 3.499544e-11 ] [ -2.640171e-11 1.192354e-10 2.2914069e-10 ] [ 2.7375705e-10 2.0725191e-10 -2.719699e-11 ] [ 1.970756e-11 9.022385000000001e-11 4.4279223e-10 ] [ 4.781332500000001e-10 2.3101082e-10 5.087446e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.4983565 0.1147239 -0.2238875 ] [ 0.0400291 -0.1438913 0.8683554 ] [ -0.3247745 -0.0617689 0.0975714 ] [ -0.2687402 0.0657686 -0.6221265 ] [ 0.0551292 0.0251678 -0.1199128 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.984551331237152e-10 1.838079504269971e-10 -3.5870731818936e-10 ] [ 6.413368817166528e-11 -2.305392767965191e-10 1.391258720425432e-09 ] [ -5.203461109320096e-10 -9.896468747253313e-11 1.563266159387251e-10 ] [ -4.305692655091161e-10 1.053729133027469e-10 -9.967565334801313e-10 ] [ 8.832671536340737e-11 4.032326075697024e-11 -1.921214846946662e-10 ] ] } "relaxed-potential-energy" { "source-value" -10.964915 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.756773046205923e-18 } }