{ "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" [ [ 1.593193 1.569284 2.84459 ] [ 1.603337 4.216737 3.188357 ] [ 3.675145 1.205287 1.773064 ] [ 3.545696 2.526378 4.008338 ] [ 3.206595 3.44318 2.117333 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.593193e-10 1.569284e-10 2.84459e-10 ] [ 1.603337e-10 4.216737e-10 3.188357e-10 ] [ 3.675145e-10 1.205287e-10 1.773064e-10 ] [ 3.545696e-10 2.526378e-10 4.008338e-10 ] [ 3.206595e-10 3.44318e-10 2.117333e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.201735 0.699032 0.1490053 ] [ -2.2016245 0.1461568 1.6904865 ] [ -0.1087372 -0.190864 0.3616114 ] [ -0.0682705 -0.9542988 1.4105352 ] [ 2.1768972 0.299974 -3.6116384 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.23215100597088e-10 1.119972727591066e-09 2.387328080352902e-10 ] [ -3.52739130168049e-09 2.341690079309415e-10 2.708457948078019e-09 ] [ -1.742161996512538e-10 -3.057978385523712e-10 5.793653308947571e-10 ] [ -1.093813989903264e-10 -1.528955226617495e-09 2.259926520255452e-09 ] [ 3.487773799724982e-09 4.806113296478592e-10 -5.786482607263519e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.048829 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.930435213181704e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4415871 1.4771338 3.1092445 ] [ 1.6158293 3.8706299 3.1468221 ] [ 3.4814824 1.348385 1.851128 ] [ 3.4293442 2.5228349 3.9357807 ] [ 3.655723 3.7418825 1.8887067 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4415871e-10 1.4771338e-10 3.1092445e-10 ] [ 1.6158293e-10 3.8706299e-10 3.1468221e-10 ] [ 3.4814824e-10 1.348385e-10 1.851128e-10 ] [ 3.4293442e-10 2.5228349e-10 3.9357807e-10 ] [ 3.655723e-10 3.7418825e-10 1.8887067e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.3e-06 -1.07e-05 -6.7e-06 ] [ -5.4e-06 5.7e-06 -1.7e-06 ] [ -4.9e-06 -3.5e-06 -9.7e-06 ] [ 1.48e-05 4.6e-06 2.84e-05 ] [ 3.7e-06 4e-06 -1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.329806595264e-14 -1.714328984256e-14 -1.073458335936e-14 ] [ -8.65175375232e-15 9.13240673856e-15 -2.72370025536e-15 ] [ -7.850665441919999e-15 -5.6076181728e-15 -1.554111322176e-14 ] [ 2.371221398784e-14 7.370012455680001e-15 4.550181603071999e-14 ] [ 5.928053496960001e-15 6.4087064832e-15 -1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137319633913408e-18 } }