{ "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" [ [ 0.1779892 2.357943 0.2667025 ] [ 0.683577 1.802827 2.30843 ] [ 1.994264 0.9284256 0.4445094 ] [ 2.959137 1.015728 2.327469 ] [ 2.670153 2.85418 1.122954 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.779892e-11 2.357943e-10 2.667025e-11 ] [ 6.83577e-11 1.802827e-10 2.30843e-10 ] [ 1.994264e-10 9.284256e-11 4.445094e-11 ] [ 2.959137e-10 1.015728e-10 2.327469e-10 ] [ 2.670153e-10 2.85418e-10 1.122954e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.2761186 5.7380695 -10.0069061 ] [ -10.9611529 -0.0922006 13.9246535 ] [ 2.0149991 -13.4627736 -13.618809 ] [ 11.4967586 -8.2462073 12.1700314 ] [ 9.7255138 16.063112 -2.4689699 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.966851021508803e-08 9.193400801425545e-09 -1.603283099996091e-08 ] [ -1.756170291339412e-08 -1.477216457437325e-10 2.230975429044089e-08 ] [ 3.228384448953041e-09 -2.156974111304345e-08 -2.181973738294063e-08 ] [ 1.841983784390134e-08 -1.321188054633029e-08 1.94985397834819e-08 ] [ 1.558199083562777e-08 2.573594250369193e-08 -3.955725851238914e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 55.121885 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.831499544142622e-18 } "relaxed-configuration-positions" { "source-value" [ [ -1.4298541 3.3210869 -1.1676166 ] [ -0.6207716 1.7824324 4.0504221 ] [ 2.3272817 -0.7022789 -1.1110204 ] [ 4.5806954 0.0053564 3.8587418 ] [ 3.6277688 4.5525068 0.8395379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.4298541e-10 3.3210869e-10 -1.1676166e-10 ] [ -6.207716e-11 1.7824324e-10 4.050422099999999e-10 ] [ 2.3272817e-10 -7.022789000000001e-11 -1.1110204e-10 ] [ 4.5806954e-10 5.3564e-13 3.8587418e-10 ] [ 3.6277688e-10 4.5525068e-10 8.395379e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 0.0 -0.0 ] [ -0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 -0.0 -0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -1.7763568e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.846037335159101e-34 } }