{ "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" [ [ 0.468554 0.0062453 1.779472 ] [ 0.0137549 1.819656 0.3703857 ] [ 0.6368997 2.724291 2.946976 ] [ 2.361208 0.5254432 0.0878272 ] [ 1.952332 1.317185 1.267695 ] [ 2.764287 2.133831 2.76552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.685540000000001e-11 6.2453e-13 1.779472e-10 ] [ 1.37549e-12 1.819656e-10 3.703857e-11 ] [ 6.368997e-11 2.724291e-10 2.946976e-10 ] [ 2.361208e-10 5.254432e-11 8.782719999999999e-12 ] [ 1.952332e-10 1.317185e-10 1.267695e-10 ] [ 2.764287e-10 2.133831e-10 2.76552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.556986 -6.3087627 4.1145857 ] [ -3.6339096 3.7241223 -2.6343202 ] [ 0.2296152 0.3712631 0.6346048 ] [ 15.214557 -24.3538426 -37.2806845 ] [ -11.2762929 21.6220687 27.2035105 ] [ 4.0230162 4.9451513 7.9623037 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.30109643051291e-09 -1.010775210411509e-08 6.592293012818003e-09 ] [ -5.822165003220679e-09 5.966701682059924e-09 -4.22064623614118e-09 ] [ 3.678841052203162e-10 5.948290589857326e-10 1.01674897400746e-09 ] [ 2.437640752122898e-08 -3.901915724036308e-08 -5.973024111332093e-08 ] [ -1.806661285367303e-08 3.464237296447145e-08 4.358482852678732e-08 ] [ 6.445582500739657e-09 7.923005799178728e-09 1.275701683584934e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.4713377 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.766049347441645e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4823738 -0.7229744 2.012406 ] [ 0.0366876 2.2469189 -0.0474498 ] [ 1.0279079 3.5656238 4.0781507 ] [ 3.0886304 0.2077377 -0.4189778 ] [ 1.5077881 0.9297422 0.9721007 ] [ 2.0536477 2.2996033 2.621646 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.823738000000001e-11 -7.229744000000001e-11 2.012406e-10 ] [ 3.66876e-12 2.2469189e-10 -4.74498e-12 ] [ 1.0279079e-10 3.5656238e-10 4.0781507e-10 ] [ 3.0886304e-10 2.077377e-11 -4.189778e-11 ] [ 1.5077881e-10 9.297422e-11 9.721007000000001e-11 ] [ 2.0536477e-10 2.2996033e-10 2.621646e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.3589967 -0.7589836 0.3276151 ] [ 0.3194833 -0.3251303 0.0718075 ] [ 0.0067459 0.2455528 0.2916389 ] [ -1.117042 0.5351437 1.0365512 ] [ 0.9507944 0.0719736 -1.9966199 ] [ 0.1990152 0.2314439 0.2690072 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.751761196843515e-10 -1.216025779490619e-09 5.248972538410541e-10 ] [ 5.118686739960327e-10 -5.209161653736902e-10 1.15048297698096e-10 ] [ 1.080812326625472e-11 3.934189553319783e-10 4.672570272958291e-10 ] [ -1.789698576851674e-09 8.57394724908409e-10 1.660738098902185e-09 ] [ 1.523340558867564e-09 1.153144192348109e-10 -3.198937724404034e-09 ] [ 3.188575006238362e-10 3.708140056067731e-10 4.309970466668698e-10 ] ] } "relaxed-potential-energy" { "source-value" -11.023125 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.7660993163156e-18 } }