{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8088976 -0.1342471 0.4236361 ] [ 1.3259305 0.3668438 0.8965733 ] [ -0.1746916 -0.0198786 -0.4885625 ] [ 0.4228472 0.3238164 -0.5559477 ] [ -0.3707477 -1.4979736 -0.5388804 ] [ -0.8789818 -0.1157658 0.6738481 ] [ 0.4845409 1.0772048 -0.4106668 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.29599682334123e-09 -2.150875650301997e-10 6.787398551468909e-10 ] [ 2.124374847905654e-09 5.87748559845431e-10 1.436468780093505e-09 ] [ -2.798867973701453e-10 -3.184902817423488e-11 -7.827634152996001e-10 ] [ 6.774758980107417e-10 5.188110655116211e-10 -8.907264073275323e-10 ] [ -5.940032971553721e-10 -2.400018280495611e-09 -8.633815782873524e-10 ] [ -1.408284090068702e-09 -1.854772582482086e-10 1.0796236717905e-09 ] [ 7.763201018013907e-10 1.72587234637354e-09 -6.579607458987494e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.155492 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.588395157992143e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.628532 0.6305589 2.8371797 ] [ 2.3756937 1.2664684 1.4659453 ] [ 2.8310639 3.4208892 2.1647718 ] [ 2.1034729 0.0834348 4.5290582 ] [ 3.8137247 0.519697 3.0774353 ] [ 2.5321539 2.121882 5.5281628 ] [ 4.1093629 2.6246357 3.9166768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.28532e-11 6.305589e-11 2.8371797e-10 ] [ 2.3756937e-10 1.2664684e-10 1.4659453e-10 ] [ 2.8310639e-10 3.4208892e-10 2.1647718e-10 ] [ 2.1034729e-10 8.343480000000001e-12 4.5290582e-10 ] [ 3.8137247e-10 5.19697e-11 3.0774353e-10 ] [ 2.5321539e-10 2.121882e-10 5.528162799999999e-10 ] [ 4.1093629e-10 2.6246357e-10 3.9166768e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.1e-06 -3.8e-06 1.08e-05 ] [ 1.36e-05 4.2e-06 2e-07 ] [ -2e-07 -5.8e-06 -8.1e-06 ] [ -9.2e-06 1e-06 -5.5e-06 ] [ 3.9e-06 7.5e-06 -6e-06 ] [ -2.2e-06 -4.1e-06 1.33e-05 ] [ 3.2e-06 9e-07 -4.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.457980724928e-14 -6.08827115904e-15 1.730350750464e-14 ] [ 2.178960204288e-14 6.72914180736e-15 3.2043532416e-16 ] [ -3.2043532416e-16 -9.292624400640001e-15 -1.297763062848e-14 ] [ -1.474002491136e-14 1.6021766208e-15 -8.8119714144e-15 ] [ 6.24848882112e-15 1.2016324656e-14 -9.6130597248e-15 ] [ -3.52478856576e-15 -6.568924145279999e-15 2.130894905664e-14 ] [ 5.126965186560001e-15 1.44195895872e-15 -7.53023011776e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }