{ "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" [ [ 0.1263174 0.4385011 2.440297 ] [ 1.443642 1.70162 0.7822092 ] [ 0.8295505 2.763862 2.693363 ] [ 2.917075 0.1010564 1.432133 ] [ 1.93191 1.054076 2.887848 ] [ 2.783401 2.698255 1.169851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.263174e-11 4.385011e-11 2.440297e-10 ] [ 1.443642e-10 1.70162e-10 7.822092e-11 ] [ 8.295505e-11 2.763862e-10 2.693363e-10 ] [ 2.917075e-10 1.010564e-11 1.432133e-10 ] [ 1.93191e-10 1.054076e-10 2.887848e-10 ] [ 2.783401e-10 2.698255e-10 1.169851e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.2438077 -9.2586968 1.5711809 ] [ -12.8890914 -2.6592671 -23.1157992 ] [ -9.2135874 15.8323956 7.6192871 ] [ 10.2694653 -11.8569123 -5.5578383 ] [ 9.4856755 -7.6523894 22.6799175 ] [ 16.5913457 15.5948701 -3.196748 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.282109568811102e-08 -1.483406755203577e-08 2.517309305027503e-09 ] [ -2.065060090443434e-08 -4.260615576082616e-09 -3.703559304934735e-08 ] [ -1.476179432597746e-08 2.536629408157679e-08 1.220744365878303e-08 ] [ 1.645349721177686e-08 -1.899686768193595e-08 -8.904638586446818e-09 ] [ 1.519772751859535e-08 -1.226047938993774e-08 3.633723358017278e-08 ] [ 2.658226618815061e-08 2.498573627863296e-08 -5.121754908189159e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 2.5159275 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.030960220127792e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.1235359 0.952792 2.2045119 ] [ 1.1347424 0.9687393 0.1564188 ] [ 1.2538493 2.8882705 3.0657873 ] [ 3.2564774 0.5296345 1.456588 ] [ 1.9982078 0.5137606 3.5046862 ] [ 2.5121549 2.9041736 1.017709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.235359e-11 9.52792e-11 2.2045119e-10 ] [ 1.1347424e-10 9.687393e-11 1.564188e-11 ] [ 1.2538493e-10 2.8882705e-10 3.0657873e-10 ] [ 3.2564774e-10 5.296345e-11 1.456588e-10 ] [ 1.9982078e-10 5.137606e-11 3.5046862e-10 ] [ 2.5121549e-10 2.9041736e-10 1.017709e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.04e-05 3.95e-05 -4e-06 ] [ 1.19e-05 -7.9e-06 4.2e-05 ] [ 1.39e-05 -3.47e-05 -3.17e-05 ] [ -4.2e-06 4.5e-05 1.3e-06 ] [ -6.4e-06 4.3e-06 -3.74e-05 ] [ -2.56e-05 -4.63e-05 2.97e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.666263685632e-14 6.32859765216e-14 -6.4087064832e-15 ] [ 1.906590178752e-14 -1.265719530432e-14 6.72914180736e-14 ] [ 2.227025502912e-14 -5.559552874176001e-14 -5.078899887936e-14 ] [ -6.72914180736e-15 7.209794793600001e-14 2.08282960704e-15 ] [ -1.025393037312e-14 6.889359469440001e-15 -5.992140561792e-14 ] [ -4.101572149248001e-14 -7.418077754303999e-14 4.758464563776e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.807034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.532566031899071e-18 } }