{ "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" [ [ 0.4711414 1.535718 0.6051258 ] [ 0.1383881 2.176586 2.72717 ] [ 2.449817 0.7251628 0.0780297 ] [ 1.858809 0.1214998 2.575793 ] [ 2.444403 2.05802 2.37174 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.711414e-11 1.535718e-10 6.051258000000001e-11 ] [ 1.383881e-11 2.176586e-10 2.72717e-10 ] [ 2.449817e-10 7.251628e-11 7.80297e-12 ] [ 1.858809e-10 1.214998e-11 2.575793e-10 ] [ 2.444403e-10 2.05802e-10 2.37174e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.511772 1.2563687 -11.576757 ] [ -5.1688381 3.343632 3.659553 ] [ 3.5356723 -2.6115915 -5.89395 ] [ 1.0871815 -15.0029308 6.4231223 ] [ 12.0577562 13.0145216 7.3880317 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.844389196238006e-08 2.012924558244889e-09 -1.854800941008275e-08 ] [ -8.281391560520293e-09 5.357089018958746e-09 5.863250259178502e-09 ] [ 5.664771497870164e-09 -4.184230844380003e-09 -9.44314889416416e-09 ] [ 1.741856781866275e-09 -2.403734497124024e-08 1.029097638159912e-08 ] [ 1.931865508294625e-08 2.085156223841661e-08 1.183693166346928e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.53474996 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.567638838857352e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.1957238 1.5797698 0.325736 ] [ -0.0833119 2.1355565 2.3184008 ] [ 2.1075787 0.8597484 -0.0445003 ] [ 2.1715118 0.0846202 2.9408815 ] [ 2.9710561 1.9572917 2.8173405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.957238e-11 1.5797698e-10 3.25736e-11 ] [ -8.331189999999999e-12 2.1355565e-10 2.3184008e-10 ] [ 2.1075787e-10 8.597484e-11 -4.45003e-12 ] [ 2.1715118e-10 8.46202e-12 2.9408815e-10 ] [ 2.9710561e-10 1.9572917e-10 2.8173405e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1999754 0.7180751 -1.2367604 ] [ 1.4854939 -1.303776 -2.6431806 ] [ -2.2889371 1.1239223 1.7800768 ] [ 1.2613412 0.1887012 1.2676194 ] [ 0.7420775 -0.7269227 0.8322447 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.922572531415128e-09 1.150483137198622e-09 -1.981508598411257e-09 ] [ 2.380023596921013e-09 -2.088879425960141e-09 -4.234842161872117e-09 ] [ -3.667281508101752e-09 1.800722032655764e-09 2.851997432188478e-09 ] [ 2.020891381491817e-09 3.02332650956905e-10 2.030950166752524e-09 ] [ 1.188939221321712e-09 -1.164658555068812e-09 1.33340300112471e-09 ] ] } "relaxed-potential-energy" { "source-value" -18.295005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.931182928841911e-18 } }