{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.845445 0.9973996 1.833851 ] [ 2.258239 2.496991 3.58031 ] [ 1.78294 4.270758 1.69672 ] [ 2.678494 4.477221 3.72616 ] [ 4.64173 2.41566 3.489752 ] [ 3.528967 5.47506 1.628646 ] [ 3.443776 3.131475 0.8054665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.845445e-10 9.973996000000001e-11 1.833851e-10 ] [ 2.258239e-10 2.496991e-10 3.58031e-10 ] [ 1.78294e-10 4.270758e-10 1.69672e-10 ] [ 2.678494e-10 4.477221e-10 3.72616e-10 ] [ 4.64173e-10 2.41566e-10 3.489752e-10 ] [ 3.528967e-10 5.475060000000001e-10 1.628646e-10 ] [ 3.443776e-10 3.131475e-10 8.054665e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6904312 3.1267892 1.7736609 ] [ -2.4189086 -7.4707975 0.2944387 ] [ -4.6943774 -1.3734785 0.4425071 ] [ 4.9128441 5.7247671 -0.1598497 ] [ -5.3237587 1.0600253 -3.5573565 ] [ 2.2556146 -0.0297228 0.827311 ] [ 2.5781547 -1.0375828 0.3792884 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.310545968510889e-09 5.009668554409936e-09 2.841718027207087e-09 ] [ -3.875518806772059e-09 -1.196953709323109e-08 4.71742801398745e-10 ] [ -7.52122171949189e-09 -2.200555141871453e-09 7.089745301580076e-10 ] [ 7.871243958655218e-09 9.172088007145017e-09 -2.561074521818938e-10 ] [ -8.5296017239206e-09 1.698347753116506e-09 -5.699513416150916e-09 ] [ 3.613892977655144e-09 -4.762117526471424e-11 1.325498342330669e-09 ] [ 4.130659185145637e-09 -1.662390904304202e-09 6.076870070206388e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -26.120591 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.18498002216789e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9283769 1.2133258 1.9022586 ] [ 1.9832969 2.4300512 3.6178731 ] [ 1.6841057 3.9360038 1.8191366 ] [ 2.9543519 4.5318136 3.7788152 ] [ 4.3161355 2.7254491 3.0892763 ] [ 3.6262537 5.2913992 1.7079468 ] [ 3.6870704 3.136522 0.845599 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9283769e-10 1.2133258e-10 1.9022586e-10 ] [ 1.9832969e-10 2.4300512e-10 3.6178731e-10 ] [ 1.6841057e-10 3.9360038e-10 1.8191366e-10 ] [ 2.9543519e-10 4.5318136e-10 3.7788152e-10 ] [ 4.3161355e-10 2.7254491e-10 3.0892763e-10 ] [ 3.6262537e-10 5.291399200000001e-10 1.7079468e-10 ] [ 3.6870704e-10 3.136522e-10 8.45599e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.4e-06 3.7e-06 6.5e-06 ] [ -5.26e-05 -4.53e-05 6.3e-06 ] [ -1.09e-05 3e-07 1.27e-05 ] [ -7e-07 7.1e-06 -1.6e-06 ] [ 5.4e-05 2.61e-05 2.91e-05 ] [ 3.01e-05 -2.08e-05 -1.8e-05 ] [ -1.14e-05 2.89e-05 -3.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.345828361472e-14 5.928053496960001e-15 1.04141480352e-14 ] [ -8.427449025408001e-14 -7.257860092224001e-14 1.009371271104e-14 ] [ -1.746372516672e-14 4.8065298624e-16 2.034764308416e-14 ] [ -1.12152363456e-15 1.137545400768e-14 -2.56348259328e-15 ] [ 8.65175375232e-14 4.181680980288e-14 4.662333966527999e-14 ] [ 4.822551628608e-14 -3.332527371264e-14 -2.88391791744e-14 ] [ -1.826481347712e-14 4.630290434112001e-14 -5.591596406592e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.311325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.856409626047056e-18 } }