{ "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" [ [ -7.8813328 -10.4141478 -9.4671101 ] [ -14.1307055 -2.0131431 10.1885459 ] [ -12.9425341 10.8053959 -5.5654048 ] [ 12.6590218 -8.8528252 -7.5406121 ] [ 6.0159051 -11.800434 10.9610547 ] [ 9.8531582 11.0037142 -10.8628416 ] [ 6.4264874 11.2714399 12.2863682 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.26272871529042e-08 -1.668530413071575e-08 -1.516798246875955e-08 ] [ -2.263988598750997e-08 -3.225410809144837e-09 1.63238500409277e-08 ] [ -2.073622554892677e-08 1.731215268946817e-08 -8.916761455848098e-09 ] [ 2.028198877015753e-08 -1.418378956346908e-08 -1.208139241314159e-08 ] [ 9.638542504171486e-09 -1.890637947009342e-08 1.756154557964996e-08 ] [ 1.578649970908381e-08 1.762989363320498e-08 -1.740419084697366e-08 ] [ 1.029636786614578e-08 1.805883749053229e-08 1.968493188458058e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 78.895737 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.264049053021855e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.4043294 -0.3135298 0.3767873 ] [ -0.7917053 1.7378813 5.4274803 ] [ -0.2862129 5.1950685 1.1798535 ] [ 5.8761543 0.2695152 0.8448334 ] [ 4.0659391 -0.7923527 5.928686 ] [ 5.0337819 5.6124568 -0.1518533 ] [ 3.9828656 4.7640814 5.2948499 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.043294e-11 -3.135298e-11 3.767873e-11 ] [ -7.917052999999999e-11 1.7378813e-10 5.4274803e-10 ] [ -2.862129e-11 5.1950685e-10 1.1798535e-10 ] [ 5.8761543e-10 2.695152e-11 8.448334e-11 ] [ 4.0659391e-10 -7.923527e-11 5.928686e-10 ] [ 5.033781900000001e-10 5.612456800000001e-10 -1.518533e-11 ] [ 3.9828656e-10 4.7640814e-10 5.2948499e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.0 -0.0 0.0 ] [ -0.0 0.0 -0.0 ] [ 0.0 -0.0 -0.0 ] [ 0.0 -0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -3.5527137e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.692074830535866e-34 } }