{ "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" [ [ 0.7481215 0.3697243 2.264709 ] [ 0.2413431 2.204484 1.035234 ] [ 2.632044 0.6504598 2.339521 ] [ 2.588426 1.874203 0.0457334 ] [ 2.842468 2.848588 2.160611 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.481215e-11 3.697243e-11 2.264709e-10 ] [ 2.413431e-11 2.204484e-10 1.035234e-10 ] [ 2.632044e-10 6.504598e-11 2.339521e-10 ] [ 2.588426e-10 1.874203e-10 4.57334e-12 ] [ 2.842468e-10 2.848588e-10 2.160611e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.3559612 -0.7429622 -0.1321932 ] [ 1.4249654 0.0018378 -0.3382912 ] [ 5.3552427 -0.6201055 0.5715977 ] [ -1.0888958 0.1313146 -0.2491776 ] [ -0.3353511 1.2299153 0.1480642 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.581195816551914e-09 -1.190356666978134e-09 -2.117968544687386e-10 ] [ 2.28304624932892e-09 2.94448019370624e-12 -5.42002251662377e-10 ] [ 8.580044652649868e-09 -9.935185345294944e-10 9.158004714430522e-10 ] [ -1.744603393247313e-09 2.103891820897037e-10 -3.992265251470541e-10 ] [ -5.372916921795629e-10 1.970541539224219e-09 2.372249996174554e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.264074 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.163832953456114e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6530728 0.4441991 2.2441586 ] [ 0.6352503 2.4705302 1.0488652 ] [ 2.9857303 0.7084737 2.0894515 ] [ 2.3898381 1.3865505 -0.0831413 ] [ 2.3885111 2.9377055 2.5464744 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.530728e-11 4.441991e-11 2.2441586e-10 ] [ 6.352503000000001e-11 2.4705302e-10 1.0488652e-10 ] [ 2.9857303e-10 7.084737e-11 2.0894515e-10 ] [ 2.3898381e-10 1.3865505e-10 -8.314130000000001e-12 ] [ 2.3885111e-10 2.9377055e-10 2.5464744e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.29e-05 -2.81e-05 1.44e-05 ] [ -2e-05 -8.3e-06 -1.28e-05 ] [ -6.6e-06 -1.69e-05 -7.9e-06 ] [ 1.8e-05 2.65e-05 1.86e-05 ] [ 3.15e-05 2.67e-05 -1.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.668984461632e-14 -4.502116304448e-14 2.307134333952e-14 ] [ -3.2043532416e-14 -1.329806595264e-14 -2.050786074624e-14 ] [ -1.057436569728e-14 -2.707678489152e-14 -1.265719530432e-14 ] [ 2.88391791744e-14 4.24576804512e-14 2.980048514688e-14 ] [ 5.04685635552e-14 4.277811577536e-14 -1.970677243584e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }