{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.10923 0.5989167 0.528493 ] [ -1.962952 -0.7190861 0.7065566 ] [ -5.0983698 -0.3768303 0.000553 ] [ 0.2637597 -2.9023485 -1.0802067 ] [ -0.0703759 -1.5001763 0.6340568 ] [ 4.3642224 2.9206423 -2.1764542 ] [ 1.3944855 1.9788822 1.3870016 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.777182373089984e-09 9.595703345466872e-10 8.467391288564544e-10 ] [ -3.144995802152602e-09 -1.152102937762251e-09 1.132028465791937e-09 ] [ -8.168488897752773e-09 -6.037486966690503e-10 8.860036713024e-13 ] [ 4.225896248492218e-10 -4.650074912113949e-09 -1.730681920371519e-09 ] [ -1.127546216477587e-10 -2.403547394938247e-09 1.015870981219261e-09 ] [ 6.992255097251667e-09 4.67938481077954e-09 -3.487064035481967e-09 ] [ 2.234212066144598e-09 3.17051879615727e-09 2.222221536532193e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.746572 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.48418492409439e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4948014 0.7451456 2.0208971 ] [ 1.0195631 2.2468262 4.0222898 ] [ 1.5716195 3.3113829 1.7341408 ] [ 3.8541654 1.7440036 1.6902014 ] [ 3.1188177 0.8053079 3.9818812 ] [ 3.8887533 4.2436636 1.5848714 ] [ 3.3374316 3.376791 3.8663553 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4948014e-10 7.451456e-11 2.0208971e-10 ] [ 1.0195631e-10 2.2468262e-10 4.0222898e-10 ] [ 1.5716195e-10 3.3113829e-10 1.7341408e-10 ] [ 3.8541654e-10 1.7440036e-10 1.6902014e-10 ] [ 3.1188177e-10 8.053079e-11 3.9818812e-10 ] [ 3.8887533e-10 4.2436636e-10 1.5848714e-10 ] [ 3.3374316e-10 3.376791e-10 3.8663553e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.1e-06 -1.18e-05 -3.18e-05 ] [ -7.48e-05 2.59e-05 5.28e-05 ] [ -8.1e-06 -2.09e-05 1.48e-05 ] [ 9.4e-06 3.95e-05 1.4e-06 ] [ 2.77e-05 -4.19e-05 4.5e-06 ] [ 2.45e-05 -2.57e-05 3.37e-05 ] [ 1.91e-05 3.49e-05 -7.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.36457090368e-15 -1.890568412544e-14 -5.094921654144e-14 ] [ -1.1984281123584e-13 4.149637447872e-14 8.459492557824e-14 ] [ -1.297763062848e-14 -3.348549137472e-14 2.371221398784e-14 ] [ 1.506046023552e-14 6.32859765216e-14 2.24304726912e-15 ] [ 4.438029239616e-14 -6.713120041152e-14 7.2097947936e-15 ] [ 3.92533272096e-14 -4.117593915456e-14 5.399335212096e-14 ] [ 3.060157345728e-14 5.591596406592e-14 -1.209643348704e-13 ] ] } "relaxed-potential-energy" { "source-value" -24.005399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84608890507757e-18 } }