{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4200245 0.9720887 1.368459 ] [ 0.2399871 2.852693 0.2124444 ] [ 1.085003 2.535414 2.951163 ] [ 2.377598 1.18625 1.814895 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.200245e-11 9.720887e-11 1.368459e-10 ] [ 2.399871e-11 2.852693e-10 2.124444e-11 ] [ 1.085003e-10 2.535414e-10 2.951163e-10 ] [ 2.377598e-10 1.18625e-10 1.814895e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.9158798 -9.2630322 -6.5459784 ] [ -6.1342755 6.3211437 -9.8612619 ] [ -0.3476293 10.0376306 15.1522013 ] [ 17.3977845 -7.0957421 1.255039 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.748916741102298e-08 -1.484101362855759e-08 -1.048781355274179e-08 ] [ -9.828192791646231e-09 1.012758865285721e-08 -1.579948326776579e-08 ] [ -5.569635371650694e-10 1.608205707554668e-08 2.427650267651537e-08 ] [ 2.787432357961662e-08 -1.136863209984629e-08 2.010794143992211e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 3.0607724 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.903897980869906e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5306118 0.7342935 0.6141074 ] [ -0.2899596 2.8346794 -0.0532712 ] [ 1.7000757 2.9518272 3.5231494 ] [ 2.1818847 1.0256456 2.2629758 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.306118e-11 7.342935000000001e-11 6.141074e-11 ] [ -2.899596e-11 2.8346794e-10 -5.32712e-12 ] [ 1.7000757e-10 2.9518272e-10 3.5231494e-10 ] [ 2.1818847e-10 1.0256456e-10 2.2629758e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.3e-06 -1e-07 4.4e-06 ] [ 5e-07 1.8e-06 6e-07 ] [ -2.3e-06 -0.0 -2e-06 ] [ -5e-07 -1.6e-06 -3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.68500622784e-15 -1.6021766208e-16 7.04957713152e-15 ] [ 8.010883104e-16 2.88391791744e-15 9.6130597248e-16 ] [ -3.68500622784e-15 0.0 -3.2043532416e-15 ] [ -8.010883104e-16 -2.56348259328e-15 -4.8065298624e-15 ] ] } "relaxed-potential-energy" { "source-value" -6.5046 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.042151804765568e-18 } }