{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.368967 3.862197 2.346954 ] [ 2.915655 3.525719 0.4290147 ] [ 3.711297 1.607736 1.156277 ] [ 3.762397 3.78477 2.460668 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.368967e-10 3.862197e-10 2.346954e-10 ] [ 2.915655e-10 3.525719e-10 4.290147e-11 ] [ 3.711297e-10 1.607736e-10 1.156277e-10 ] [ 3.762397e-10 3.78477e-10 2.460668e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3336098 0.4903723 0.175503 ] [ -3.0922366 2.5141322 -5.4466271 ] [ 1.7562201 -3.4624628 0.9516363 ] [ 2.6696263 0.4579583 4.3194878 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.136678442829764e-09 7.856630345479239e-10 2.811868034802624e-10 ] [ -4.954309186502081e-09 4.02808383244047e-09 -8.726458601835704e-09 ] [ 2.813774785199038e-09 -5.547476948549707e-09 1.524689431364615e-09 ] [ 4.277212844132807e-09 7.337300815613127e-10 6.920582366990826e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.00835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.62643789958368e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7768819 4.2984008 2.1114936 ] [ 2.2215245 3.146147 0.0768627 ] [ 4.1022742 2.0918078 1.0849641 ] [ 3.6576353 3.2440664 3.1195933 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7768819e-10 4.2984008e-10 2.1114936e-10 ] [ 2.2215245e-10 3.146147e-10 7.68627e-12 ] [ 4.1022742e-10 2.0918078e-10 1.0849641e-10 ] [ 3.6576353e-10 3.2440664e-10 3.1195933e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 1.1e-06 -3e-07 ] [ -2.5e-06 -2.2e-06 -1.9e-06 ] [ 6e-07 3.1e-06 6e-07 ] [ -9e-07 -2e-06 1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-15 1.76239428288e-15 -4.8065298624e-16 ] [ -4.005441552e-15 -3.52478856576e-15 -3.04413557952e-15 ] [ 9.6130597248e-16 4.96674752448e-15 9.6130597248e-16 ] [ -1.44195895872e-15 -3.2043532416e-15 2.56348259328e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.6375609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.383889813471621e-18 } }