{ "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" [ [ 0.5308739 0.2525778 2.81745 ] [ 0.4737551 1.568741 0.832487 ] [ 2.312512 2.941662 0.559243 ] [ 2.76942 1.516894 1.016982 ] [ 2.535548 1.814472 2.698768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.308739e-11 2.525778e-11 2.81745e-10 ] [ 4.737551e-11 1.568741e-10 8.32487e-11 ] [ 2.312512e-10 2.941662e-10 5.592430000000001e-11 ] [ 2.76942e-10 1.516894e-10 1.016982e-10 ] [ 2.535548e-10 1.814472e-10 2.698768e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1721859 0.4991573 0.1431953 ] [ -3.2388404 -0.7028767 -0.3885701 ] [ -11.991388 43.2190537 -14.8943318 ] [ 18.358088 -46.2800853 -12.2753499 ] [ -4.3000455 3.264751 27.4150564 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.87804885968426e-09 7.997381627505282e-10 2.294241637586202e-10 ] [ -5.189194410135213e-09 -1.126132625323028e-09 -6.225579348910432e-10 ] [ -1.921232166282799e-08 6.924455798173124e-08 -2.386335038900316e-08 ] [ 2.941289963851579e-08 -7.414887128718687e-08 -1.966727878395423e-08 ] [ -6.889432425236847e-09 5.230707768028134e-09 4.392376278387215e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.992504 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.998873253951536e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0324028 0.0489519 2.5812336 ] [ 0.3970438 1.8224356 0.983741 ] [ 2.4164406 3.1887863 0.5887387 ] [ 2.7116145 0.7582153 0.9144698 ] [ 2.0646075 2.2759578 2.8567469 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0324028e-10 4.89519e-12 2.5812336e-10 ] [ 3.970438e-11 1.8224356e-10 9.837410000000001e-11 ] [ 2.4164406e-10 3.1887863e-10 5.887387e-11 ] [ 2.7116145e-10 7.582153000000001e-11 9.144698e-11 ] [ 2.0646075e-10 2.2759578e-10 2.8567469e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-06 6.7e-06 -3e-06 ] [ -5.6e-06 -2.2e-06 9e-07 ] [ 2.2e-06 6.4e-06 -4.4e-06 ] [ 2.4e-06 -7.5e-06 -1e-07 ] [ -2.1e-06 -3.3e-06 6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.806529901999999e-15 1.07345834478e-14 -4.806529901999999e-15 ] [ -8.972189150399999e-15 -3.5247885948e-15 1.4419589706e-15 ] [ 3.5247885948e-15 1.02539304576e-14 -7.0495771896e-15 ] [ 3.845223921599999e-15 -1.2016324755e-14 -1.602176634e-16 ] [ -3.364570931399999e-15 -5.2871828922e-15 1.0414148121e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.29999 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.291110984443366e-18 } }