{ "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" [ [ 0.0964554 0.9453783 1.033805 ] [ 0.3537174 0.7305408 2.827753 ] [ 0.9097692 2.353277 1.204642 ] [ 0.0320969 2.73021 2.755149 ] [ 2.067566 0.358515 1.282199 ] [ 2.580778 1.703479 2.85822 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.64554e-12 9.453783e-11 1.033805e-10 ] [ 3.537174000000001e-11 7.305408e-11 2.827753e-10 ] [ 9.097692e-11 2.353277e-10 1.204642e-10 ] [ 3.20969e-12 2.73021e-10 2.755149e-10 ] [ 2.067566e-10 3.58515e-11 1.282199e-10 ] [ 2.580778e-10 1.703479e-10 2.85822e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -31.3220653 -39.2616719 -25.7880587 ] [ -1.186529 -11.2526245 23.7487094 ] [ 31.7861282 42.9772312 -14.9323396 ] [ -10.7318217 12.4533658 18.1844316 ] [ 8.7121094 -7.3539692 -4.3132812 ] [ 2.7421784 2.4376686 3.1005385 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.018348073883094e-08 -6.290413281170033e-08 -4.131702474495805e-08 ] [ -1.901029023701203e-09 -1.802869189654129e-08 3.80496269748532e-08 ] [ 5.092699146779158e-08 6.885711505535633e-08 -2.392424540096603e-08 ] [ -1.719427382633411e-08 1.995249153503029e-08 2.913467117205674e-08 ] [ 1.395833799853192e-08 -1.178235752232328e-08 -6.910638297576168e-09 ] [ 4.39345412254275e-09 3.905575640178267e-09 4.967610296590301e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 5.964093 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.555530368876935e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1699172 0.6801818 0.8760672 ] [ 0.2882246 0.8011432 3.2622691 ] [ 1.0926902 2.862994 1.202285 ] [ -0.3709153 3.0463021 3.033123 ] [ 2.3843646 -0.1058443 0.9541314 ] [ 2.4761016 1.5366235 2.6338924 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.699172e-11 6.801818e-11 8.760672e-11 ] [ 2.882246e-11 8.011432000000001e-11 3.2622691e-10 ] [ 1.0926902e-10 2.862994e-10 1.202285e-10 ] [ -3.709153e-11 3.0463021e-10 3.033123e-10 ] [ 2.3843646e-10 -1.058443e-11 9.541314e-11 ] [ 2.4761016e-10 1.5366235e-10 2.6338924e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.7e-05 -2.3e-06 2.8e-06 ] [ -7.4e-06 4.11e-05 -8.3e-06 ] [ -3.23e-05 -1.65e-05 1.53e-05 ] [ -7.1e-06 2.2e-05 2.19e-05 ] [ 2.63e-05 -1.22e-05 -1.57e-05 ] [ -1.66e-05 -3.2e-05 -1.61e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.92805349696e-14 -3.68500622784e-15 4.48609453824e-15 ] [ -1.185610699392e-14 6.584945911488e-14 -1.329806595264e-14 ] [ -5.175030485184e-14 -2.64359142432e-14 2.451330229824e-14 ] [ -1.137545400768e-14 3.52478856576e-14 3.508766799552e-14 ] [ 4.213724512704e-14 -1.954655477376e-14 -2.515417294656e-14 ] [ -2.659613190528e-14 -5.12696518656e-14 -2.579504359488e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.35004 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.940000507874483e-18 } }