{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9812884 -0.9488869 -3.9364471 ] [ -3.3044635 0.8018146 -0.6672014 ] [ -2.0622976 1.7054145 2.3058762 ] [ -0.4069968 -0.2785999 0.6394588 ] [ 3.5502747 -1.1916795 1.9380892 ] [ 3.4344542 0.8390846 0.9374521 ] [ -0.2296826 -0.9271475 -1.2172278 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.572197332742239e-09 -1.520284406963388e-09 -6.30688351263596e-09 ] [ -5.294334163986942e-09 1.284648606336104e-09 -1.068974484445029e-09 ] [ -3.30416499985195e-09 2.732375240673322e-09 3.694420938099145e-09 ] [ -6.520807577004135e-10 -4.46366246337218e-10 1.024525939324823e-09 ] [ 5.688167121757734e-09 -1.909281034386634e-09 3.105161205264976e-09 ] [ 5.502602224448366e-09 1.34436172899332e-09 1.501963837739864e-09 ] [ -3.679920919245581e-10 -1.485454048533168e-09 -1.950213923347818e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.339553 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.09853796733225e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6948215 2.9459834 1.4743659 ] [ 1.2422266 1.6941679 2.9771471 ] [ 1.6656115 3.988233 3.4211314 ] [ 4.3618891 1.2864764 2.1086988 ] [ 3.1980572 1.1093662 4.1442786 ] [ 4.7852779 3.580541 2.5526797 ] [ 3.6207412 3.399622 4.5875215 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6948215e-10 2.9459834e-10 1.4743659e-10 ] [ 1.2422266e-10 1.6941679e-10 2.9771471e-10 ] [ 1.6656115e-10 3.988233e-10 3.421131400000001e-10 ] [ 4.3618891e-10 1.2864764e-10 2.1086988e-10 ] [ 3.1980572e-10 1.1093662e-10 4.1442786e-10 ] [ 4.7852779e-10 3.580541e-10 2.5526797e-10 ] [ 3.6207412e-10 3.399622e-10 4.587521500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.2e-06 0.0 -3.8e-06 ] [ -1e-06 6.8e-06 1.61e-05 ] [ 1.5e-05 -2.56e-05 -2.04e-05 ] [ -1.71e-05 3.78e-05 3.1e-06 ] [ -1.08e-05 -1.65e-05 9.5e-06 ] [ 4.7e-06 -2e-07 -6.1e-06 ] [ 1e-06 -2.3e-06 1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.313784829056e-14 0.0 -6.08827115904e-15 ] [ -1.6021766208e-15 1.089480102144e-14 2.579504359488e-14 ] [ 2.4032649312e-14 -4.101572149248001e-14 -3.268440306432e-14 ] [ -2.739722021568e-14 6.056227626623999e-14 4.96674752448e-15 ] [ -1.730350750464e-14 -2.64359142432e-14 1.52206778976e-14 ] [ 7.53023011776e-15 -3.2043532416e-16 -9.77327738688e-15 ] [ 1.6021766208e-15 -3.68500622784e-15 2.56348259328e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.906204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669978452007545e-18 } }