{ "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" [ [ 1.569029 2.409456 2.459016 ] [ 1.280031 0.1374919 2.779238 ] [ 3.588101 1.133333 2.932926 ] [ 4.931515 2.722575 2.426382 ] [ 3.330231 3.38172 3.93095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.569029e-10 2.409456e-10 2.459016e-10 ] [ 1.280031e-10 1.374919e-11 2.779238e-10 ] [ 3.588101e-10 1.133333e-10 2.932926e-10 ] [ 4.931515000000001e-10 2.722575e-10 2.426382e-10 ] [ 3.330231e-10 3.38172e-10 3.93095e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2802831 16.0567314 -3.5859995 ] [ -6.3190894 -16.0783077 1.5418701 ] [ -17.2859448 -45.9571262 5.8160078 ] [ 33.5657382 29.7242956 -16.1110196 ] [ -6.6804208 16.2544068 12.3391413 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.255592892425349e-09 2.572571965554526e-08 -5.745404561100489e-09 ] [ -1.01242973014251e-08 -2.576028869896862e-08 2.470348226530558e-09 ] [ -2.769513662699933e-08 -7.363143315679514e-08 9.318271723550443e-09 ] [ 5.377824100393348e-08 4.762357148006831e-08 -2.581269894037057e-08 ] [ -1.070321402286603e-08 2.604243055993254e-08 1.976948371160772e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1846706 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.306758021869108e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1109503 2.3862682 3.2574251 ] [ 1.5067458 0.111952 2.0597648 ] [ 3.4824504 1.0302255 3.4868142 ] [ 5.2937336 2.4913862 2.3174713 ] [ 3.3050269 3.7647441 3.4070366 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1109503e-10 2.3862682e-10 3.2574251e-10 ] [ 1.5067458e-10 1.11952e-11 2.0597648e-10 ] [ 3.4824504e-10 1.0302255e-10 3.4868142e-10 ] [ 5.293733600000001e-10 2.4913862e-10 2.3174713e-10 ] [ 3.3050269e-10 3.7647441e-10 3.4070366e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.66e-05 -4.1e-05 1.68e-05 ] [ 3.69e-05 2.74e-05 2e-05 ] [ -3.59e-05 -2.52e-05 -2.77e-05 ] [ 3.34e-05 -1.18e-05 -6e-07 ] [ 3.23e-05 5.06e-05 -8.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.0670496294528e-13 -6.56892414528e-14 2.691656722944e-14 ] [ 5.912031730752001e-14 4.389963940992e-14 3.2043532416e-14 ] [ -5.751814068672e-14 -4.037485084416e-14 -4.438029239616e-14 ] [ 5.351269913472e-14 -1.890568412544e-14 -9.6130597248e-16 ] [ 5.175030485184e-14 8.107013701248e-14 -1.377871893888e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.367078 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.622294972241002e-18 } }