{ "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" [ [ 1.839954 1.796871 1.93364 ] [ 2.210383 3.445619 3.048606 ] [ 3.819674 1.353604 3.225037 ] [ 4.546382 3.666644 2.852587 ] [ 3.625014 3.17012 0.7912526 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.839954e-10 1.796871e-10 1.93364e-10 ] [ 2.210383e-10 3.445619e-10 3.048606e-10 ] [ 3.819674e-10 1.353604e-10 3.225037e-10 ] [ 4.546382e-10 3.666644e-10 2.852587000000001e-10 ] [ 3.625014e-10 3.17012e-10 7.912526e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1356577 -11.6774355 -8.4246245 ] [ -6.4654505 18.5265393 13.7321538 ] [ 3.6401897 -7.4618665 1.898368 ] [ 2.343957 1.2432647 1.97194 ] [ 1.6169615 -0.630502 -9.1778374 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.819524231162182e-09 -1.870931430314211e-08 -1.349773652412393e-08 ] [ -1.035879371938362e-08 2.968278837534271e-08 2.200133595285431e-08 ] [ 5.83222688066747e-09 -1.195522815232736e-08 3.041520852333312e-09 ] [ 3.755433136500738e-09 1.991929652217019e-09 3.15939619164996e-09 ] [ 2.590657933377591e-09 -1.010175572090268e-09 -1.470451663293131e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5549546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.050219509705082e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.987104 1.7920658 1.8628938 ] [ 1.9067169 3.8886433 3.3837686 ] [ 4.020048 1.055935 3.2913165 ] [ 4.4294596 3.5810624 2.8775448 ] [ 3.6980786 3.1151515 0.4355989 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.987104e-10 1.7920658e-10 1.8628938e-10 ] [ 1.9067169e-10 3.8886433e-10 3.3837686e-10 ] [ 4.020048e-10 1.055935e-10 3.2913165e-10 ] [ 4.429459600000001e-10 3.5810624e-10 2.8775448e-10 ] [ 3.6980786e-10 3.1151515e-10 4.355989e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.7e-06 1.36e-05 -3.5e-06 ] [ -1.08e-05 3.5e-06 2e-06 ] [ 1.14e-05 -7.1e-06 -1.33e-05 ] [ 4.5e-06 1.16e-05 9.1e-06 ] [ -3e-07 -2.16e-05 5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.530230179799999e-15 2.17896022224e-14 -5.607618218999999e-15 ] [ -1.73035076472e-14 5.607618218999999e-15 3.204353268e-15 ] [ 1.82648136276e-14 -1.13754541014e-14 -2.13089492322e-14 ] [ 7.209794853e-15 1.85852489544e-14 1.45798073694e-14 ] [ -4.806529901999999e-16 -3.46070152944e-14 9.1324068138e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.588965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.177192220324381e-18 } }