{ "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" [ [ 0.2519361 0.630526 0.2961672 ] [ 1.040527 1.338339 0.9480581 ] [ 1.471162 2.964903 0.310665 ] [ 0.0960364 2.590998 1.829013 ] [ 2.039261 0.0625187 0.2196196 ] [ 2.19391 1.549757 2.906446 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.519361e-11 6.30526e-11 2.961672e-11 ] [ 1.040527e-10 1.338339e-10 9.480581e-11 ] [ 1.471162e-10 2.964903e-10 3.10665e-11 ] [ 9.60364e-12 2.590998e-10 1.829013e-10 ] [ 2.039261e-10 6.25187e-12 2.196196e-11 ] [ 2.19391e-10 1.549757e-10 2.906446e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -125.4424507 -105.1597431 -97.6549012 ] [ 107.830143 85.0404977 97.7575177 ] [ 8.3521164 22.2730142 -11.2247237 ] [ -13.9146933 16.965027 16.8424803 ] [ 21.7506165 -19.7283285 -9.4899661 ] [ 1.4242681 0.6095327 3.769593 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.009809617673966e-07 -1.684844818441541e-07 -1.564603996091739e-07 ] [ 1.727629341321208e-07 1.362498972361362e-07 1.566248093663822e-07 ] [ 1.338156563028026e-08 3.568530262598641e-08 -1.798398988707967e-08 ] [ -2.22937962908624e-08 2.718096963064076e-08 2.698462817294457e-08 ] [ 3.484832924428672e-08 -3.160826669016233e-08 -1.520460181760456e-08 ] [ 2.281929051571237e-09 9.765790415531003e-10 6.039553774531335e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 51.630378 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.272098455466667e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0319854 -0.2571652 -0.1421307 ] [ 1.5838038 1.3328598 0.7391698 ] [ 0.9356841 3.5459694 0.333784 ] [ 0.7824177 3.7472062 2.6484608 ] [ 2.3324097 -0.7790354 -0.1265676 ] [ 1.4265319 1.5472069 3.0572526 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.19854e-12 -2.571652e-11 -1.421307e-11 ] [ 1.5838038e-10 1.3328598e-10 7.391698e-11 ] [ 9.356841e-11 3.5459694e-10 3.337840000000001e-11 ] [ 7.824177000000001e-11 3.7472062e-10 2.6484608e-10 ] [ 2.3324097e-10 -7.790354000000001e-11 -1.265676e-11 ] [ 1.4265319e-10 1.5472069e-10 3.0572526e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.7e-06 6.85e-05 2.28e-05 ] [ 5.7e-06 -3.45e-05 -1.21e-05 ] [ -3.21e-05 -3.8e-06 1.48e-05 ] [ 1.67e-05 -2.54e-05 -3.37e-05 ] [ 2.6e-05 -3.6e-06 1.04e-05 ] [ -1.46e-05 -1.3e-06 -2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.72370025536e-15 1.097490985248e-13 3.652962695424e-14 ] [ 9.13240673856e-15 -5.52750934176e-14 -1.938633711168e-14 ] [ -5.142986952768e-14 -6.08827115904e-15 2.371221398784e-14 ] [ 2.675634956736e-14 -4.069528616832e-14 -5.399335212096e-14 ] [ 4.16565921408e-14 -5.76783583488e-15 1.666263685632e-14 ] [ -2.339177866368e-14 -2.08282960704e-15 -3.52478856576e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.171627 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.590980269969805e-18 } }