{ "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" [ [ 2.990348 2.100415 1.411886 ] [ 2.946969 3.752547 2.888488 ] [ 5.496135 2.06422 2.457996 ] [ 4.937229 4.674633 2.559339 ] [ 4.468449 3.37128 4.359326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.990348e-10 2.100415e-10 1.411886e-10 ] [ 2.946969e-10 3.752547e-10 2.888488e-10 ] [ 5.496135e-10 2.06422e-10 2.457996e-10 ] [ 4.937229e-10 4.674633e-10 2.559339e-10 ] [ 4.468449e-10 3.37128e-10 4.359326000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0514898 -0.8425849 -0.3470723 ] [ -9.3100644 -0.3697823 -1.9989497 ] [ 1.1268085 -2.4899704 -0.7021394 ] [ 6.0793157 7.6507037 -5.06865 ] [ 2.0524504 -3.9483661 8.1168115 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.24957544493332e-11 -1.349969838941226e-09 -5.560711293686382e-10 ] [ -1.491636764271523e-08 -5.924565607267782e-10 -3.20267050188131e-09 ] [ 1.805346249692589e-09 -3.989372394231633e-09 -1.124951340490779e-09 ] [ 9.740137565249352e-09 1.225777870179734e-08 -8.120872595924098e-09 ] [ 3.288388073323953e-09 -6.325979907897706e-09 1.300456572788249e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8921899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.10425056148708e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1338046 1.9559684 1.4625173 ] [ 2.8531755 4.0278257 2.9919298 ] [ 5.4824772 2.3574098 2.4788987 ] [ 5.0940643 4.8745607 2.0060792 ] [ 4.2756084 2.7473304 4.7376101 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1338046e-10 1.9559684e-10 1.4625173e-10 ] [ 2.8531755e-10 4.027825700000001e-10 2.9919298e-10 ] [ 5.4824772e-10 2.3574098e-10 2.4788987e-10 ] [ 5.0940643e-10 4.874560700000001e-10 2.0060792e-10 ] [ 4.2756084e-10 2.7473304e-10 4.737610100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.5e-06 3.9e-06 5.9e-06 ] [ -1.3e-06 -1.1e-05 3.5e-06 ] [ 2.4e-06 1.25e-05 -2.91e-05 ] [ 7.7e-06 -1.97e-05 9.7e-06 ] [ -1.33e-05 1.42e-05 1.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.209794853e-15 6.248488872599999e-15 9.452842140600001e-15 ] [ -2.0828296242e-15 -1.7623942974e-14 5.607618218999999e-15 ] [ 3.845223921599999e-15 2.0027207925e-14 -4.66233400494e-14 ] [ 1.23367600818e-14 -3.15628796898e-14 1.55411133498e-14 ] [ -2.13089492322e-14 2.27509082028e-14 1.61819840034e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.025254 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.926658097671503e-18 } }