{ "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" [ [ -1.4964321 -8.3917391 3.171965 ] [ -21.0742432 8.765626 -35.7611799 ] [ -6.3112256 2.6184285 32.3392884 ] [ 12.7041725 -10.2651857 0.1000805 ] [ 16.1777284 7.2728703 0.149846 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.397548525234648e-09 -1.344504819387323e-08 5.082048164995872e-09 ] [ -3.376465975609338e-08 1.404408104387662e-08 -5.729572636800288e-08 ] [ -1.011169810491445e-08 4.195184925936413e-09 5.181325180778865e-08 ] [ 2.035432816611029e-08 -1.644664053671048e-08 1.603466372979744e-10 ] [ 2.591957822013219e-08 1.165242276077068e-08 2.400797579203968e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 14.118306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.262001979850037e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.108955 0.3233477 1.5761638 ] [ 0.4896346 0.7704006 -0.5559217 ] [ 1.4494374 2.4441803 3.3157399 ] [ 2.6120257 0.7403042 0.0646358 ] [ 3.028542 2.7071755 2.3622283 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08955e-11 3.233477e-11 1.5761638e-10 ] [ 4.896346e-11 7.704006e-11 -5.559217e-11 ] [ 1.4494374e-10 2.4441803e-10 3.3157399e-10 ] [ 2.6120257e-10 7.403042e-11 6.46358e-12 ] [ 3.028542e-10 2.7071755e-10 2.3622283e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.63e-05 1.58e-05 -5.16e-05 ] [ -2.05e-05 -6.3e-06 4.45e-05 ] [ 3.29e-05 1.7e-05 5.18e-05 ] [ 6.02e-05 -2.08e-05 -2.37e-05 ] [ -5.63e-05 -5.7e-06 -2.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.611547891904e-14 2.531439060864e-14 -8.267231363328e-14 ] [ -3.28446207264e-14 -1.009371271104e-14 7.129685962560001e-14 ] [ 5.271161082432e-14 2.72370025536e-14 8.299274895744e-14 ] [ 9.645103257216e-14 -3.332527371264e-14 -3.797158591296e-14 ] [ -9.020254375104e-14 -9.13240673856e-15 -3.348549137472e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.919261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.031199765701323e-18 } }