{ "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" [ [ 0.0780347 0.0112197 1.661349 ] [ 1.004167 1.583481 0.6099477 ] [ 1.186614 2.044688 2.371218 ] [ 2.525789 0.4216906 0.1723184 ] [ 2.89399 2.924329 1.948013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.80347e-12 1.12197e-12 1.661349e-10 ] [ 1.004167e-10 1.583481e-10 6.099477e-11 ] [ 1.186614e-10 2.044688e-10 2.371218e-10 ] [ 2.525789e-10 4.216906e-11 1.723184e-11 ] [ 2.89399e-10 2.924329e-10 1.948013e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5806718 -1.9097856 0.907165 ] [ -5.1274515 2.7279987 -12.0698508 ] [ -4.518571 0.6651891 14.1191812 ] [ 4.8736939 -3.4155589 -0.8480544 ] [ 5.3530004 1.9321567 -2.108441 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.303387823178534e-10 -3.0598138390605e-09 1.453438554208032e-09 ] [ -8.215082917585892e-09 4.370735738712793e-09 -1.933803276830418e-08 ] [ -7.239548815624877e-09 1.065750424430993e-09 2.262142202347889e-08 ] [ 7.808518423515575e-09 -5.472328616545365e-09 -1.358732932846571e-09 ] [ 8.576452092013049e-09 3.095656292462079e-09 -3.378094876536173e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.867296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.260479772011336e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5458621 0.0040419 1.6168844 ] [ 0.8451628 2.0335072 0.384186 ] [ 0.8361933 2.0850633 2.7769077 ] [ 2.5855265 0.3908861 0.4124252 ] [ 2.87585 2.4719098 1.5724428 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.458621000000001e-11 4.0419e-13 1.6168844e-10 ] [ 8.451628000000001e-11 2.0335072e-10 3.84186e-11 ] [ 8.361933e-11 2.0850633e-10 2.7769077e-10 ] [ 2.5855265e-10 3.908861e-11 4.124252e-11 ] [ 2.87585e-10 2.4719098e-10 1.5724428e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.4e-06 1.3e-06 -4.1e-06 ] [ 2.9e-06 -1.3e-05 3.5e-06 ] [ -1.57e-05 3.9e-06 8.7e-06 ] [ -8.5e-06 -4.4e-06 -9.6e-06 ] [ 1.89e-05 1.21e-05 1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.84522388992e-15 2.08282960704e-15 -6.568924145279999e-15 ] [ 4.646312200320001e-15 -2.08282960704e-14 5.6076181728e-15 ] [ -2.515417294656e-14 6.24848882112e-15 1.393893660096e-14 ] [ -1.36185012768e-14 -7.04957713152e-15 -1.538089555968e-14 ] [ 3.028113813312e-14 1.938633711168e-14 2.56348259328e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137319633913408e-18 } }