{ "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" [ [ 2.420109 0.1444118 2.696301 ] [ 1.741529 2.490211 2.002098 ] [ 2.88298 4.123868 0.919121 ] [ 3.624829 1.629307 1.356835 ] [ 3.547112 2.169997 3.636924 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.420109e-10 1.444118e-11 2.696301e-10 ] [ 1.741529e-10 2.490211e-10 2.002098e-10 ] [ 2.88298e-10 4.123868e-10 9.19121e-11 ] [ 3.624829e-10 1.629307e-10 1.356835e-10 ] [ 3.547112e-10 2.169997e-10 3.636924e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6193946 -9.3776928 2.2895615 ] [ -11.8906108 5.4701911 -0.2239749 ] [ 0.774734 3.7789117 -2.0580636 ] [ 9.3404235 -2.835725 -8.8850229 ] [ 4.3948479 2.9643149 8.8774999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.196732788769768e-09 -1.502472016120449e-08 3.668281907183779e-09 ] [ -1.905085863079198e-08 8.764212291728235e-09 -3.588473484260179e-10 ] [ 1.241260702138867e-09 6.054483977807583e-09 -3.297381384039483e-09 ] [ 1.496500816007091e-08 -4.543332298018081e-09 -1.423537596565262e-08 ] [ 7.041322557351977e-09 4.74935602946909e-09 1.422332279093434e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.2655759 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.834205981227919e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1264568 0.3953837 1.8577894 ] [ 1.3992312 2.6223935 2.7216351 ] [ 2.7312879 3.3969421 0.7568558 ] [ 4.2873926 1.6007255 1.5228789 ] [ 3.6721905 2.54235 3.7521198 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1264568e-10 3.953837e-11 1.8577894e-10 ] [ 1.3992312e-10 2.6223935e-10 2.7216351e-10 ] [ 2.7312879e-10 3.3969421e-10 7.568558e-11 ] [ 4.287392600000001e-10 1.6007255e-10 1.5228789e-10 ] [ 3.6721905e-10 2.54235e-10 3.7521198e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.3e-06 1.25e-05 5.2e-06 ] [ 2.3e-06 -5.7e-06 -8.1e-06 ] [ -7.6e-06 5.3e-06 -1.5e-06 ] [ 3e-07 -1.07e-05 -3.5e-06 ] [ -3e-07 -1.4e-06 7.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.491536090240001e-15 2.002720776e-14 8.33131842816e-15 ] [ 3.68500622784e-15 -9.13240673856e-15 -1.297763062848e-14 ] [ -1.217654231808e-14 8.491536090240001e-15 -2.4032649312e-15 ] [ 4.8065298624e-16 -1.714328984256e-14 -5.6076181728e-15 ] [ -4.8065298624e-16 -2.24304726912e-15 1.265719530432e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.458486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.835851837896411e-18 } }