{ "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" [ [ 2.360944 2.643853 2.165766 ] [ 2.694587 4.80447 3.102481 ] [ 4.665525 1.923814 2.374826 ] [ 4.545146 3.928705 1.722535 ] [ 3.943017 3.203445 4.218269 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.360944e-10 2.643853e-10 2.165766e-10 ] [ 2.694587e-10 4.80447e-10 3.102481e-10 ] [ 4.665525e-10 1.923814e-10 2.374826e-10 ] [ 4.545146e-10 3.928705e-10 1.722535e-10 ] [ 3.943017e-10 3.203445e-10 4.218269e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5062448 -0.647029 -0.4740495 ] [ -0.039148 0.2900228 -0.2555871 ] [ 0.5519563 -3.8840418 1.0002698 ] [ 0.6826231 4.5067779 -2.2879803 ] [ 0.3108134 -0.2657298 2.0173471 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.413270203761572e-09 -1.036654736779603e-09 -7.595110260019297e-10 ] [ -6.272201035107841e-11 4.646677496589543e-10 -4.094956761980717e-10 ] [ 8.843314795632709e-10 -6.222920966169949e-09 1.602608888052292e-09 ] [ 1.093682771638021e-09 7.22065418651812e-09 -3.66574854551097e-09 ] [ 4.979779629113587e-10 -4.257460730098599e-10 3.232146359658679e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.589295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.017027412135434e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1538209 2.4881024 2.0892686 ] [ 2.8203088 4.5898945 2.9953251 ] [ 4.4633789 2.0118204 2.4382257 ] [ 4.7105211 4.2256014 1.589245 ] [ 4.0611893 3.1888684 4.4718125 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1538209e-10 2.4881024e-10 2.0892686e-10 ] [ 2.8203088e-10 4.5898945e-10 2.9953251e-10 ] [ 4.4633789e-10 2.0118204e-10 2.4382257e-10 ] [ 4.7105211e-10 4.2256014e-10 1.589245e-10 ] [ 4.0611893e-10 3.1888684e-10 4.4718125e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.2e-06 3.4e-06 2.1e-06 ] [ 3.6e-06 -7.4e-06 -1.7e-06 ] [ -3.6e-06 6.7e-06 1e-06 ] [ -3.1e-06 -3.3e-06 3.5e-06 ] [ -1.1e-06 6e-07 -4.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.72914180736e-15 5.44740051072e-15 3.36457090368e-15 ] [ 5.76783583488e-15 -1.185610699392e-14 -2.72370025536e-15 ] [ -5.76783583488e-15 1.073458335936e-14 1.6021766208e-15 ] [ -4.96674752448e-15 -5.28718284864e-15 5.6076181728e-15 ] [ -1.76239428288e-15 9.6130597248e-16 -7.69044777984e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.103084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.259563146597855e-18 } }