{ "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" [ [ 0.6660422 0.1321237 2.521111 ] [ 1.154832 2.450071 0.6217319 ] [ 0.2052378 1.707228 1.69737 ] [ 2.767871 1.123615 2.427941 ] [ 1.781428 1.004966 1.555643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.660422e-11 1.321237e-11 2.521111e-10 ] [ 1.154832e-10 2.450071e-10 6.217319e-11 ] [ 2.052378e-11 1.707228e-10 1.69737e-10 ] [ 2.767871e-10 1.123615e-10 2.427941e-10 ] [ 1.781428e-10 1.004966e-10 1.555643e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -22.5345199 -60.8486067 44.0648601 ] [ 3.4735835 57.8776862 -47.074227 ] [ -77.5095897 43.604766 9.375505 ] [ -0.9110468 7.3742734 -2.3822016 ] [ 97.481573 -48.0081189 -3.9839364 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.610428094473235e-08 -9.749021506299424e-08 7.059968865104274e-08 ] [ 5.565294274096637e-09 9.273027569563881e-08 -7.542122594163212e-08 ] [ -1.241840525051405e-07 6.986253664065473e-08 1.502121491919351e-08 ] [ -1.459657883414653e-09 1.181488843686733e-08 -3.816707709552354e-09 ] [ 1.561826972194085e-07 -7.691748571016661e-08 -6.382969758834117e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 51.07198360076505 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.182633810302677e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8278628 0.2821454 3.053909 ] [ 1.1320921 2.9533191 0.344036 ] [ -0.3329396 1.6070618 1.479107 ] [ 3.0707642 0.7405599 2.9741341 ] [ 1.8776315 0.8349175 0.9726108 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.278628e-11 2.821454e-11 3.053909e-10 ] [ 1.1320921e-10 2.9533191e-10 3.44036e-11 ] [ -3.329396e-11 1.6070618e-10 1.479107e-10 ] [ 3.0707642e-10 7.405599000000001e-11 2.9741341e-10 ] [ 1.8776315e-10 8.349175e-11 9.726108e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 1e-07 -7e-07 ] [ 1.7e-06 2.4e-06 -1.1e-06 ] [ -4.8e-06 -2e-07 4e-07 ] [ -3.2e-06 1e-07 -4.1e-06 ] [ 3.5e-06 -2.4e-06 5.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-15 1.6021766208e-16 -1.12152363456e-15 ] [ 2.72370025536e-15 3.84522388992e-15 -1.76239428288e-15 ] [ -7.69044777984e-15 -3.2043532416e-16 6.408706483200001e-16 ] [ -5.126965186560001e-15 1.6021766208e-16 -6.568924145279999e-15 ] [ 5.6076181728e-15 -3.84522388992e-15 8.972189076479999e-15 ] ] } "relaxed-potential-energy" { "source-value" -4.883549399234948 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.824308673976119e-19 } }