{ "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" [ [ 1.054063 0.143936 1.020128 ] [ 0.3465957 1.342343 2.730037 ] [ 0.4577023 2.369538 0.7306134 ] [ 2.27069 2.392327 1.674561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.054063e-10 1.43936e-11 1.020128e-10 ] [ 3.465957e-11 1.342343e-10 2.730037e-10 ] [ 4.577023e-11 2.369538e-10 7.306134e-11 ] [ 2.27069e-10 2.392327e-10 1.674561e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8688666 -1.0797982 -1.1273468 ] [ -0.5541301 0.3361901 2.4399356 ] [ -4.0847373 1.0730835 -3.323463 ] [ 3.7700008 -0.3294754 2.0108742 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.392077753113985e-09 -1.730027431221923e-09 -1.806208686493694e-09 ] [ -8.87814291101566e-10 5.386359183644141e-10 3.909207774577621e-09 ] [ -6.544470604169716e-09 1.719269295866237e-09 -5.32477471869383e-09 ] [ 6.040207142157296e-09 -5.278777830087283e-10 3.221775630609903e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.11705062032712 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.99406562973825e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.2137185 0.2316548 0.9679061 ] [ 0.3383501 1.4520028 2.8175762 ] [ 0.2414345 2.3796686 0.6251226 ] [ 2.3355479 2.1848178 1.7447344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2137185e-10 2.316548e-11 9.679061e-11 ] [ 3.383501e-11 1.4520028e-10 2.8175762e-10 ] [ 2.414345e-11 2.3796686e-10 6.251226e-11 ] [ 2.3355479e-10 2.1848178e-10 1.7447344e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-06 3.6e-06 3e-07 ] [ 3.4e-06 7e-06 -8e-06 ] [ 6.5e-06 -2.4e-06 1.14e-05 ] [ -1.59e-05 -8.2e-06 -3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.6130597248e-15 5.76783583488e-15 4.8065298624e-16 ] [ 5.44740051072e-15 1.12152363456e-14 -1.28174129664e-14 ] [ 1.04141480352e-14 -3.84522388992e-15 1.826481347712e-14 ] [ -2.547460827072e-14 -1.313784829056e-14 -6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -4.0298336203271194 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.456505212201934e-19 } }