{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8494568 1.09498 0.2360667 ] [ 0.557157 2.835915 1.114432 ] [ 0.135541 1.869398 2.917972 ] [ 1.620291 0.3348641 1.837353 ] [ 2.814436 1.836887 0.4161362 ] [ 2.451507 2.913738 2.050042 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.494568e-11 1.09498e-10 2.360667e-11 ] [ 5.57157e-11 2.835915e-10 1.114432e-10 ] [ 1.35541e-11 1.869398e-10 2.917972e-10 ] [ 1.620291e-10 3.348641e-11 1.837353e-10 ] [ 2.814436e-10 1.836887e-10 4.161362e-11 ] [ 2.451507e-10 2.913738e-10 2.050042e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.507698 -4.2571541 -9.2625319 ] [ -3.1538806 7.4286 -1.307912 ] [ 0.517006 -1.7293015 1.9348634 ] [ 2.7553164 -2.0288115 6.7641432 ] [ 4.4062923 -1.5623987 -4.431387 ] [ 0.9829639 2.1490658 6.3028243 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.824304970026918e-09 -6.820712770162866e-09 -1.48402120595942e-08 ] [ -5.053073762114676e-09 1.190192924527488e-08 -2.09550602846377e-09 ] [ 8.283349260133247e-10 -2.770646433614371e-09 3.099992903921599e-09 ] [ 4.414503518986822e-09 -3.250514353310179e-09 1.08373520947833e-08 ] [ 7.05965850747106e-09 -2.503238669508313e-09 -7.09986464911705e-09 ] [ 1.574881779670389e-09 3.443182981320849e-09 1.009823773847013e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.36839793049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.396768413783271e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4662779 0.9238474 0.3633231 ] [ 0.7473988 3.2318573 0.8228607 ] [ 0.1817123 1.7356698 2.5717334 ] [ 2.0620653 0.3967371 2.0344729 ] [ 2.6277512 1.8929218 0.285601 ] [ 2.3431832 2.7047486 2.4940108 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.662779e-11 9.238474e-11 3.633231e-11 ] [ 7.473988e-11 3.231857300000001e-10 8.228607e-11 ] [ 1.817123e-11 1.7356698e-10 2.5717334e-10 ] [ 2.0620653e-10 3.967371e-11 2.0344729e-10 ] [ 2.6277512e-10 1.8929218e-10 2.85601e-11 ] [ 2.3431832e-10 2.7047486e-10 2.4940108e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.7e-06 -1.53e-05 -7.9e-06 ] [ -3.5e-06 -1e-05 1.24e-05 ] [ -6.4e-06 1.34e-05 -3.7e-06 ] [ -3e-06 7.4e-06 -1.01e-05 ] [ 2.8e-06 1e-07 1.1e-06 ] [ 1.28e-05 4.4e-06 8.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.32587687616e-15 -2.451330229824e-14 -1.265719530432e-14 ] [ -5.6076181728e-15 -1.6021766208e-14 1.986699009792e-14 ] [ -1.025393037312e-14 2.146916671872e-14 -5.928053496960001e-15 ] [ -4.8065298624e-15 1.185610699392e-14 -1.618198387008e-14 ] [ 4.48609453824e-15 1.6021766208e-16 1.76239428288e-15 ] [ 2.050786074624e-14 7.04957713152e-15 1.329806595264e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }