{ "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" [ [ 0.7955699 1.924478 0.0578634 ] [ 0.2789322 2.342777 2.34838 ] [ 2.533834 0.6960937 0.5593318 ] [ 1.694509 0.4311754 2.932881 ] [ 2.816233 2.726519 1.407602 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.955699e-11 1.924478e-10 5.786340000000001e-12 ] [ 2.789322e-11 2.342777e-10 2.34838e-10 ] [ 2.533834e-10 6.960937e-11 5.593318000000001e-11 ] [ 1.694509e-10 4.311754e-11 2.932881e-10 ] [ 2.816233e-10 2.726519e-10 1.407602e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0713912 0.6163039 -4.417352 ] [ 1.2606374 0.0708232 0.8591651 ] [ 2.3325044 -5.4217063 0.0699421 ] [ 0.9626266 2.3765488 -1.9115065 ] [ 1.5156228 2.3580305 5.3997512 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.72744111651322e-09 9.874277080230726e-10 -7.077378158553168e-09 ] [ 2.019763786226511e-09 1.134712761851088e-10 1.376534247968273e-09 ] [ 3.73708404838219e-09 -8.686531150270595e-09 1.120595983528914e-10 ] [ 1.542297845786864e-09 3.807650956920739e-09 -3.062571050039121e-09 ] [ 2.428295436117655e-09 3.777981369359337e-09 8.65135520205346e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.683903 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03218530145225e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7865903 2.1029909 -0.0827095 ] [ 0.2075021 2.3359531 2.3565976 ] [ 2.5169993 0.3670925 0.4936743 ] [ 1.9377175 0.5998499 2.9329593 ] [ 2.6702689 2.7151567 1.6055366 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.865903e-11 2.1029909e-10 -8.270950000000002e-12 ] [ 2.075021e-11 2.3359531e-10 2.3565976e-10 ] [ 2.5169993e-10 3.670925e-11 4.936743e-11 ] [ 1.9377175e-10 5.998499000000001e-11 2.9329593e-10 ] [ 2.6702689e-10 2.7151567e-10 1.6055366e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.3e-06 -1.61e-05 -0.000105 ] [ 8.5e-06 -0.0001323 4.39e-05 ] [ -0.000115 5.13e-05 6e-05 ] [ -4.8e-06 0.0001033 -4.78e-05 ] [ 0.0001041 -6.2e-06 4.89e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.16958894282e-14 -2.579504380739999e-14 -1.6822854657e-13 ] [ 1.3618501389e-14 -2.119679686781999e-13 7.03355542326e-14 ] [ -1.8425031291e-13 8.21916613242e-14 9.613059803999999e-14 ] [ -7.690447843199998e-15 1.655048462922e-13 -7.65840431052e-14 ] [ 1.667865875994e-13 -9.9334951308e-15 7.834643740259999e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.126158 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.423477690979217e-18 } }