{ "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" [ [ 1.055832 0.6405486 1.855781 ] [ 0.890095 2.704191 1.463006 ] [ 2.442458 0.1179627 0.0087146 ] [ 2.783596 2.546667 0.3462901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.055832e-10 6.405486e-11 1.855781e-10 ] [ 8.90095e-11 2.704191e-10 1.463006e-10 ] [ 2.442458e-10 1.179627e-11 8.7146e-13 ] [ 2.783596e-10 2.546667e-10 3.462901e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7692845 -4.6021853 1.2163949 ] [ -1.8811464 4.2124338 0.6979411 ] [ 0.5234038 0.2239973 0.045222 ] [ 2.1270271 0.1657543 -1.9595579 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.232529650798373e-09 -7.373513752998281e-09 1.948879486496766e-09 ] [ -3.013928807213217e-09 6.749063006631829e-09 1.118224922328257e-09 ] [ 8.38585338506809e-10 3.588832401390882e-10 7.245363174274799e-11 ] [ 3.407873119504781e-09 2.655676664450261e-10 -3.139557880350108e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.7601096 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.243306627839909e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8260033 0.4300196 1.7830629 ] [ 0.9935457 2.799508 1.6331228 ] [ 2.592445 0.2051769 0.2037733 ] [ 2.759987 2.5746648 0.0538328 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.260033e-11 4.300196e-11 1.7830629e-10 ] [ 9.935457e-11 2.799508e-10 1.6331228e-10 ] [ 2.592445e-10 2.051769e-11 2.037733e-11 ] [ 2.759987e-10 2.5746648e-10 5.38328e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-06 1e-07 2.2e-06 ] [ -1.1e-06 -1.6e-06 7e-07 ] [ 6e-07 -1.9e-06 -8e-07 ] [ 2.6e-06 3.4e-06 -2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.364570931399999e-15 1.602176634e-16 3.5247885948e-15 ] [ -1.7623942974e-15 -2.5634826144e-15 1.1215236438e-15 ] [ 9.613059803999998e-16 -3.0441356046e-15 -1.2817413072e-15 ] [ 4.165659248399999e-15 5.4474005556e-15 -3.204353268e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.6379755 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.383956251116446e-18 } }