{ "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" [ [ 3.095423 1.998262 0.8352723 ] [ 3.003915 2.107064 3.861401 ] [ 2.921301 4.877628 0.9226955 ] [ 1.839297 3.508607 2.236053 ] [ 4.200263 0.9739816 2.537715 ] [ 4.333089 3.298954 2.357847 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.095423e-10 1.998262e-10 8.352723e-11 ] [ 3.003915e-10 2.107064e-10 3.861401e-10 ] [ 2.921301e-10 4.877627999999999e-10 9.226955000000001e-11 ] [ 1.839297e-10 3.508607e-10 2.236053e-10 ] [ 4.200263e-10 9.739816e-11 2.537715e-10 ] [ 4.333089e-10 3.298954000000001e-10 2.357847e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6077323 3.0439714 -3.6156485 ] [ -3.7602578 -0.8243009 4.592921 ] [ 1.2416797 -2.4369943 -1.9705724 ] [ -5.9202466 0.63263 1.2972922 ] [ 3.5426143 -8.7716923 0.1811094 ] [ 7.5039428 8.3563861 -0.4851017 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.178047758787077e-09 4.876979851644268e-09 -5.792907543457147e-09 ] [ -6.024597184976245e-09 -1.32067564136517e-09 7.358670708007912e-09 ] [ 1.989390202252129e-09 -3.904495324651185e-09 -3.157205054885301e-09 ] [ -9.485280770037942e-09 1.01358500396742e-09 2.078491250310454e-09 ] [ 5.675893854734266e-09 -1.405380044369772e-08 2.901692488777596e-10 ] [ 1.202264181703253e-08 1.338840655410239e-08 -7.772186088536777e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -15.405658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.468258527899517e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0686037 2.1750634 0.6346425 ] [ 2.9274595 2.0951859 4.1711767 ] [ 3.0739745 4.7462575 0.6572804 ] [ 1.7580532 3.4083333 2.4152966 ] [ 4.2314336 0.8718607 2.4022324 ] [ 4.3337636 3.4677957 2.470355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0686037e-10 2.1750634e-10 6.346425e-11 ] [ 2.9274595e-10 2.0951859e-10 4.1711767e-10 ] [ 3.0739745e-10 4.746257499999999e-10 6.572804e-11 ] [ 1.7580532e-10 3.4083333e-10 2.4152966e-10 ] [ 4.2314336e-10 8.718607e-11 2.4022324e-10 ] [ 4.3337636e-10 3.4677957e-10 2.470355e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.78e-05 0.0001804 -0.0001768 ] [ 0.0001613 0.0003603 -0.0001662 ] [ -8.22e-05 -6.45e-05 0.000349 ] [ 0.0002855 -0.0003159 -0.0001905 ] [ -0.000177 -4.91e-05 0.0001907 ] [ -0.0001498 -0.0001113 -6.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.056227676519999e-14 2.890326647736e-13 -2.832648288912e-13 ] [ 2.584310910642e-13 5.772642412302e-13 -2.662817565708e-13 ] [ -1.316989193148e-13 -1.03340392893e-13 5.591596452659999e-13 ] [ 4.574214290069999e-13 -5.061275986805999e-13 -3.05214648777e-13 ] [ -2.83585264218e-13 -7.866687272939998e-14 3.055350841038e-13 ] [ -2.400060597732e-13 -1.783222593642e-13 -9.9334951308e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.822631 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.175935621260405e-18 } }