{ "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" [ [ 0.7859888 0.7922848 0.3283142 ] [ 1.326446 2.971813 1.139898 ] [ 0.4302915 2.603801 2.617302 ] [ 2.920361 1.53739 0.8701039 ] [ 1.870212 1.959004 2.746341 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.859888e-11 7.922848000000001e-11 3.283142e-11 ] [ 1.326446e-10 2.971813e-10 1.139898e-10 ] [ 4.302915e-11 2.603801e-10 2.617302e-10 ] [ 2.920361000000001e-10 1.53739e-10 8.701039000000001e-11 ] [ 1.870212e-10 1.959004e-10 2.746341e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9663205 -9.8503536 -10.755526 ] [ -0.1247524 16.2300477 -17.7399521 ] [ -30.5882911 10.1556782 14.5496598 ] [ 13.6391113 -5.5899428 -7.0213024 ] [ 23.0402528 -10.9454295 20.9671207 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.559099217299766e-09 -1.578200624453312e-08 -1.723225230160654e-08 ] [ -1.998753786686899e-10 2.600340297940881e-08 -2.842253650873187e-08 ] [ -4.900784487064471e-08 1.627119018040823e-08 2.33111247721536e-08 ] [ 2.185226525334909e-08 -8.956075665769291e-09 -1.124936655284693e-08 ] [ 3.691455437348174e-08 -1.753651124951463e-08 3.359303059103173e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.931657 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.552532837600467e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4488541 1.4038258 -0.3876257 ] [ 0.0027138 2.9863244 0.6070605 ] [ 0.5800735 3.1686744 2.8914555 ] [ 2.9191817 0.6072368 1.2822834 ] [ 2.3824762 1.6982314 3.3087853 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4488541e-10 1.4038258e-10 -3.876257e-11 ] [ 2.7138e-13 2.9863244e-10 6.070605e-11 ] [ 5.800735e-11 3.1686744e-10 2.8914555e-10 ] [ 2.9191817e-10 6.072368e-11 1.2822834e-10 ] [ 2.3824762e-10 1.6982314e-10 3.3087853e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.43e-05 -1.54e-05 -9.8e-06 ] [ 1.47e-05 2.79e-05 3.43e-05 ] [ -1.89e-05 -1.21e-05 -4.46e-05 ] [ 2.11e-05 9.9e-06 1.35e-05 ] [ 7.4e-06 -1.02e-05 6.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.893289188544e-14 -2.467351996032e-14 -1.570133088384e-14 ] [ 2.355199632576e-14 4.470072772032e-14 5.495465809344e-14 ] [ -3.028113813312e-14 -1.938633711168e-14 -7.145707728768e-14 ] [ 3.380592669888e-14 1.586154854592e-14 2.16293843808e-14 ] [ 1.185610699392e-14 -1.634220153216e-14 1.073458335936e-14 ] ] } "relaxed-potential-energy" { "source-value" -7.0960126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.136906548862222e-18 } }