{ "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" [ [ 2.448876 1.489587 3.211478 ] [ 1.818052 3.686595 2.502768 ] [ 2.645526 3.343853 4.556562 ] [ 4.834539 1.578647 2.504909 ] [ 4.649923 2.062861 4.836234 ] [ 4.865091 3.729921 2.57452 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.448876e-10 1.489587e-10 3.211478e-10 ] [ 1.818052e-10 3.686595e-10 2.502768e-10 ] [ 2.645526e-10 3.343853e-10 4.556562e-10 ] [ 4.834539e-10 1.578647e-10 2.504909e-10 ] [ 4.649923e-10 2.062861e-10 4.836234000000001e-10 ] [ 4.865090999999999e-10 3.729921e-10 2.57452e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.6003876 -54.2811698 -22.7221988 ] [ 244.0395485 43.0992938 -91.0863832 ] [ -28.1624936 57.4167663 113.667688 ] [ -2.4628014 -155.9527783 -9.3801874 ] [ 53.3753642 -125.0961819 136.2207839 ] [ -272.3900053 234.8140698 -126.6997026 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.972810154063336e-09 -8.696802191974645e-08 -3.640497599046284e-08 ] [ 3.909944623786097e-07 6.905268146826105e-08 -1.459364748386101e-07 ] [ -4.512128920109454e-08 9.199180136569863e-08 1.821157137544022e-07 ] [ -3.945842857262488e-09 -2.498638973996422e-07 -1.502871707482121e-08 ] [ 8.55167613524801e-08 -2.004261796427937e-07 2.182497570297434e-07 ] [ -4.364169018267961e-07 3.76213615968005e-07 -2.02995303040469e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 45.487458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.287894234765637e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1953447 1.1797458 2.9425096 ] [ 1.7261401 3.8908075 2.0726654 ] [ 2.7909435 3.5622909 4.9555183 ] [ 4.9463573 1.3427478 2.5130352 ] [ 5.0174084 1.8100278 5.3097382 ] [ 4.585813 4.1058442 2.3930043 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1953447e-10 1.1797458e-10 2.9425096e-10 ] [ 1.7261401e-10 3.8908075e-10 2.0726654e-10 ] [ 2.7909435e-10 3.5622909e-10 4.9555183e-10 ] [ 4.9463573e-10 1.3427478e-10 2.5130352e-10 ] [ 5.0174084e-10 1.8100278e-10 5.3097382e-10 ] [ 4.585813e-10 4.1058442e-10 2.3930043e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.9e-06 4.59e-05 7.8e-06 ] [ 4.8e-06 -7.47e-05 1.24e-05 ] [ -1.35e-05 1.1e-05 -6e-07 ] [ -2.93e-05 2.31e-05 -2.87e-05 ] [ -6.9e-06 -2.19e-05 1.64e-05 ] [ 3.81e-05 1.65e-05 -7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.10550187746e-14 7.353990750059999e-14 1.24969777452e-14 ] [ 7.690447843199998e-15 -1.196825945598e-13 1.98669902616e-14 ] [ -2.162938455899999e-14 1.7623942974e-14 -9.613059803999998e-16 ] [ -4.69437753762e-14 3.70102802454e-14 -4.598246939579999e-14 ] [ -1.10550187746e-14 -3.50876682846e-14 2.62756967976e-14 ] [ 6.10429297554e-14 2.6435914461e-14 -1.16958894282e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.337879 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.457399134891928e-18 } }