{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5913808 -2.5771342 -3.0070136 ] [ 0.5331679 0.1684502 4.9279867 ] [ -5.2434224 3.3941943 -1.8890676 ] [ -0.5263731 -0.0333627 -1.5161115 ] [ 2.6594497 -1.2329279 1.2682293 ] [ 0.578671 -0.9637796 -0.6069437 ] [ 2.5898877 1.24456 0.8229204 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.474964995562271e-10 -4.129024197922282e-09 -4.817766928040222e-09 ] [ 8.542291513788487e-10 2.698869744326267e-10 7.895505143402767e-09 ] [ -8.4008888514722e-09 5.438098798715986e-09 -3.026619968766458e-09 ] [ -8.433426815861453e-10 -5.345293838715179e-11 -2.429078419838691e-09 ] [ 4.26090816863831e-09 -1.975368272786688e-09 2.031927351014176e-09 ] [ 9.27133154973414e-10 -1.544145155445866e-09 -9.724310142935057e-10 ] [ 4.149457557624001e-09 1.99400495161104e-09 1.318463836521934e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.080322005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.896786945283357e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6814072 1.9235666 2.3970929 ] [ 2.3473405 2.7247243 4.5422701 ] [ 2.0900707 4.2704475 2.7193034 ] [ 3.8984769 1.7454812 1.829127 ] [ 4.537448 2.5142401 3.8874217 ] [ 3.7484777 3.889023 1.0213934 ] [ 4.414368 4.6902292 3.1665666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6814072e-10 1.9235666e-10 2.3970929e-10 ] [ 2.3473405e-10 2.7247243e-10 4.5422701e-10 ] [ 2.0900707e-10 4.270447500000001e-10 2.7193034e-10 ] [ 3.8984769e-10 1.7454812e-10 1.829127e-10 ] [ 4.537448000000001e-10 2.5142401e-10 3.8874217e-10 ] [ 3.7484777e-10 3.889023e-10 1.0213934e-10 ] [ 4.414368e-10 4.6902292e-10 3.1665666e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.8e-06 -6e-06 2.78e-05 ] [ -3.64e-05 4.75e-05 -4.3e-06 ] [ 2.59e-05 -4.47e-05 4.8e-06 ] [ 4.91e-05 1.15e-05 1.25e-05 ] [ -2.47e-05 -3.38e-05 -5.7e-05 ] [ -1.78e-05 2.21e-05 1.74e-05 ] [ 8.6e-06 3.4e-06 -1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.690447843199998e-15 -9.613059803999999e-15 4.454051042519999e-14 ] [ -5.831922947759999e-14 7.6103390115e-14 -6.8893595262e-15 ] [ 4.149637482059999e-14 -7.16172955398e-14 7.690447843199998e-15 ] [ 7.866687272939998e-14 1.8425031291e-14 2.0027207925e-14 ] [ -3.95737628598e-14 -5.415357022919999e-14 -9.132406813799999e-14 ] [ -2.851874408519999e-14 3.54081036114e-14 2.78778734316e-14 ] [ 1.37787190524e-14 5.4474005556e-15 -1.9226119608e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }