{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8670835 0.0748596 0.0624467 ] [ 1.077368 0.92169 1.864842 ] [ 2.976718 2.979813 0.7013645 ] [ 1.541867 2.360612 1.695051 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.670835000000001e-11 7.48596e-12 6.24467e-12 ] [ 1.077368e-10 9.216900000000001e-11 1.864842e-10 ] [ 2.976718e-10 2.979813e-10 7.013645e-11 ] [ 1.541867e-10 2.360612e-10 1.695051e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.087608 -10.3139903 -12.6122468 ] [ -15.366794 -42.0654756 14.8230968 ] [ 16.4228558 8.9480318 -10.811362 ] [ 2.0315462 43.4314341 8.600512 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.946893351795047e-09 -1.652483412581798e-08 -2.020704695871961e-08 ] [ -2.462031808344972e-08 -6.739632154915285e-08 2.37492191408153e-08 ] [ 2.631231560952968e-08 1.433632735213494e-08 -1.732171143540553e-08 ] [ 3.254895825715081e-09 6.958482832283588e-08 1.377953925330985e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.051798 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.77069323734042e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.794525 -0.2361785 -0.188914 ] [ 0.8922136 0.5685378 2.0186301 ] [ 3.2778001 3.1639901 0.4953468 ] [ 1.4984977 2.8406252 1.9986412 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.94525e-11 -2.361785e-11 -1.88914e-11 ] [ 8.922136000000001e-11 5.685378e-11 2.0186301e-10 ] [ 3.2778001e-10 3.1639901e-10 4.953468e-11 ] [ 1.4984977e-10 2.8406252e-10 1.9986412e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.1e-06 1.82e-05 1.48e-05 ] [ 1.88e-05 -5.6e-06 -2.04e-05 ] [ -3.81e-05 -3.27e-05 2.63e-05 ] [ 1.52e-05 2.01e-05 -2.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.568924145279999e-15 2.915961449856e-14 2.371221398784e-14 ] [ 3.012092047104e-14 -8.972189076479999e-15 -3.268440306432e-14 ] [ -6.104292925248e-14 -5.239117550016001e-14 4.213724512704e-14 ] [ 2.435308463616e-14 3.220375007808e-14 -3.332527371264e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.5046 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.042151804765568e-18 } }