{ "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" [ [ 0.5308739 0.2525778 2.81745 ] [ 0.4737551 1.568741 0.832487 ] [ 2.312512 2.941662 0.559243 ] [ 2.76942 1.516894 1.016982 ] [ 2.535548 1.814472 2.698768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.308739e-11 2.525778e-11 2.81745e-10 ] [ 4.737551e-11 1.568741e-10 8.32487e-11 ] [ 2.312512e-10 2.941662e-10 5.592430000000001e-11 ] [ 2.76942e-10 1.516894e-10 1.016982e-10 ] [ 2.535548e-10 1.814472e-10 2.698768e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0350539 0.6654451 -0.5201667 ] [ -2.7353392 -0.7737728 0.2003277 ] [ -5.1082587 17.056072 -5.4971193 ] [ 10.579403 -20.2931913 -15.4347625 ] [ -2.770859 3.345447 21.2517208 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.616253904786112e-11 1.066160581645918e-09 -8.333989256586874e-10 ] [ -4.382496516197775e-09 -1.239720689970954e-09 3.209603574386362e-10 ] [ -8.184332662138202e-09 2.73268398010815e-08 -8.80735602420846e-09 ] [ 1.695007214862138e-08 -3.251327666228196e-08 -2.472921562510056e-08 ] [ -4.439405509333268e-09 5.359996969525498e-09 3.404901021752908e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 8.13144540076505 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.302801171441745e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3544995 0.6522187 3.0196327 ] [ 0.7277535 1.2759691 0.7964283 ] [ 2.0576758 3.2367711 0.9021431 ] [ 3.0792764 1.1921808 0.4999501 ] [ 2.4029037 1.7372072 2.7067758 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.544995e-11 6.522187e-11 3.0196327e-10 ] [ 7.277535000000001e-11 1.2759691e-10 7.964283e-11 ] [ 2.0576758e-10 3.2367711e-10 9.021431e-11 ] [ 3.0792764e-10 1.1921808e-10 4.999501e-11 ] [ 2.4029037e-10 1.7372072e-10 2.7067758e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.09e-05 -2.29e-05 1.97e-05 ] [ -3.8e-06 4.21e-05 3.2e-06 ] [ 1.48e-05 -3.59e-05 -4.25e-05 ] [ -2.2e-06 3.62e-05 2.94e-05 ] [ -1.97e-05 -1.94e-05 -9.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.746372516672e-14 -3.668984461632e-14 3.156287942976e-14 ] [ -6.08827115904e-15 6.745163573568001e-14 5.126965186560001e-15 ] [ 2.371221398784e-14 -5.751814068672e-14 -6.8092506384e-14 ] [ -3.52478856576e-15 5.799879367296e-14 4.710399265152e-14 ] [ -3.156287942976e-14 -3.108222644352e-14 -1.586154854592e-14 ] ] } "relaxed-potential-energy" { "source-value" -5.057896399234949 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.103643361282738e-19 } }