{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3328054 -2.556789 -1.5156967 ] [ -0.2595084 0.8756497 1.4774285 ] [ 1.1113607 1.9000172 -1.6190198 ] [ 0.1610849 -0.4648927 1.0026883 ] [ 0.9894732 -0.3908736 2.9197902 ] [ -0.5764567 1.2926421 -1.4540978 ] [ -0.0931484 -0.6557537 -0.8110927 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.135389651955993e-09 -4.096427560118611e-09 -2.428413816963711e-09 ] [ -4.157782913812147e-10 1.402945477350534e-09 2.367101401603613e-09 ] [ 1.780596130815923e-09 3.044163136957878e-09 -2.593955672172292e-09 ] [ 2.580864607439059e-10 -7.448402151205882e-10 1.606483752209697e-09 ] [ 1.585310827948163e-09 -6.262485436079308e-10 4.678019596080957e-09 ] [ -9.235854476435194e-10 2.071040951681816e-09 -2.329721499516715e-09 ] [ -1.492401887449267e-10 -1.050633247143097e-09 -1.299513761241548e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.711051 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.638711494599647e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.942323 1.9613494 1.5446443 ] [ 2.3444166 2.4197522 3.8428655 ] [ 2.4812022 4.2333629 1.0104133 ] [ 1.9015548 4.677765 3.2384371 ] [ 4.6641112 2.0033139 3.2568176 ] [ 4.7366286 3.8154407 1.6416479 ] [ 4.1387167 4.273829 3.9398754 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.942323e-10 1.9613494e-10 1.5446443e-10 ] [ 2.3444166e-10 2.4197522e-10 3.8428655e-10 ] [ 2.4812022e-10 4.233362900000001e-10 1.0104133e-10 ] [ 1.9015548e-10 4.677765e-10 3.2384371e-10 ] [ 4.6641112e-10 2.0033139e-10 3.2568176e-10 ] [ 4.7366286e-10 3.8154407e-10 1.6416479e-10 ] [ 4.1387167e-10 4.273829e-10 3.9398754e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4e-06 1.64e-05 6.1e-06 ] [ -1.47e-05 -1.22e-05 1.66e-05 ] [ -1.19e-05 -2e-06 -2.42e-05 ] [ 2.11e-05 -3.13e-05 -2.6e-06 ] [ -2.69e-05 8.2e-06 -7.8e-06 ] [ 6.9e-06 8.1e-06 1.59e-05 ] [ 2.14e-05 1.29e-05 -4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.4087064832e-15 2.627569658112e-14 9.77327738688e-15 ] [ -2.355199632576e-14 -1.954655477376e-14 2.659613190528e-14 ] [ -1.906590178752e-14 -3.2043532416e-15 -3.877267422336e-14 ] [ 3.380592669888e-14 -5.014812823104e-14 -4.16565921408e-15 ] [ -4.309855109952001e-14 1.313784829056e-14 -1.249697764224e-14 ] [ 1.105501868352e-14 1.297763062848e-14 2.547460827072e-14 ] [ 3.428657968511999e-14 2.066807840832e-14 -6.4087064832e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.628085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.945854200207517e-18 } }