{ "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" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.822784 -21.9852473 -2.8127023 ] [ -42.9929162 6.0092812 -46.2223258 ] [ -14.580293 15.6483409 29.3734811 ] [ 0.8563744 -3.0887915 -7.4608367 ] [ 12.3353811 -65.5668326 25.7496782 ] [ 48.2042378 68.9832493 1.3727055 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.124775151168307e-09 -3.522424922656633e-08 -4.506445866330388e-09 ] [ -6.888224519565358e-08 9.627929846452969e-09 -7.405632975576066e-08 ] [ -2.336020456901389e-08 2.507140594428843e-08 4.706150468993067e-08 ] [ 1.372063042331627e-09 -4.948789527825764e-09 -1.195357813234662e-08 ] [ 1.976345920707818e-08 -1.050496462916273e-07 4.125553240516343e-08 ] [ 7.723170282664364e-08 1.10523349255278e-07 2.199316659343574e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 25.090286 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.019906963838555e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9857865 0.3760619 3.3628136 ] [ 1.433468 2.9683935 0.6578033 ] [ 0.4564621 2.5817116 2.8133469 ] [ 2.6910179 1.0962937 0.0243343 ] [ 3.048289 0.7467382 2.3111086 ] [ 2.7889238 3.0583794 2.6315923 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.857865e-11 3.760619e-11 3.3628136e-10 ] [ 1.433468e-10 2.9683935e-10 6.578033e-11 ] [ 4.564621e-11 2.5817116e-10 2.8133469e-10 ] [ 2.6910179e-10 1.0962937e-10 2.43343e-12 ] [ 3.048289e-10 7.467382000000001e-11 2.3111086e-10 ] [ 2.7889238e-10 3.0583794e-10 2.6315923e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0401359 0.0076906 0.0395634 ] [ 0.0755944 0.0123563 -0.0073708 ] [ -0.0234773 -0.0325824 -0.0489732 ] [ -0.066105 0.0284546 0.0135025 ] [ -0.0087849 0.0159877 -0.0019933 ] [ -0.0173632 -0.0319068 0.0052714 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.430480063476672e-11 1.232169951992448e-11 6.338755451935872e-11 ] [ 1.211155803434035e-10 1.979697497959104e-11 -1.180932343659264e-11 ] [ -3.761478117950784e-11 -5.220275952955391e-11 -7.846371608576256e-11 ] [ -1.05911885517984e-10 4.558929487421568e-11 2.1633389822352e-11 ] [ -1.407496139606592e-11 2.561511916036416e-11 -3.19361865824064e-12 ] [ -2.781891310227456e-11 -5.112032900454144e-11 8.44571383888512e-12 ] ] } "relaxed-potential-energy" { "source-value" -18.146514 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.907392047981989e-18 } }