{ "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" [ [ 1.466656 0.07552 0.8362243 ] [ 0.0979932 0.4288587 1.191786 ] [ 0.4994915 2.11153 0.6404272 ] [ 2.455877 2.004038 2.378996 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.466656e-10 7.552e-12 8.362243000000001e-11 ] [ 9.799320000000001e-12 4.288587e-11 1.191786e-10 ] [ 4.994915e-11 2.11153e-10 6.404272e-11 ] [ 2.455877e-10 2.004038e-10 2.378996e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 62.7131539 -17.3938584 -12.6376969 ] [ -63.8765482 -2.7114343 20.6424762 ] [ 6.1538627 22.1145341 -2.3282575 ] [ -4.9904685 -2.0092414 -5.6765218 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.00477549823026e-07 -2.786803350358462e-08 -2.024782268075423e-08 ] [ -1.023415129866147e-07 -4.344196680086146e-09 3.307289303554111e-08 ] [ 9.859575026784152e-09 3.543138980681622e-08 -3.730279764435255e-09 ] [ -7.99561202341303e-09 -3.219159623145448e-09 -9.09479059035162e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 16.364384 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.621863367460345e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9549614 -0.3075932 1.375809 ] [ -0.2682928 0.3315051 0.8154136 ] [ 0.3050474 2.6175666 1.1479081 ] [ 2.5283017 1.9784683 1.7083028 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9549614e-10 -3.075932e-11 1.375809e-10 ] [ -2.682928e-11 3.315051e-11 8.154136e-11 ] [ 3.050474e-11 2.6175666e-10 1.1479081e-10 ] [ 2.5283017e-10 1.9784683e-10 1.7083028e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-07 6e-07 -5e-07 ] [ -1e-06 -7e-07 -0.0 ] [ 0.0 -7e-07 -4e-07 ] [ 1.6e-06 8e-07 8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.613059803999998e-16 9.613059803999998e-16 -8.010883169999999e-16 ] [ -1.602176634e-15 -1.1215236438e-15 0.0 ] [ 0.0 -1.1215236438e-15 -6.408706536e-16 ] [ 2.5634826144e-15 1.2817413072e-15 1.2817413072e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.6361973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.383671352067389e-18 } }