{ "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" [ [ 0.5094065 0.6220131 0.2703167 ] [ 0.4530106 0.160144 2.650194 ] [ 0.6482707 2.949508 2.588273 ] [ 2.962565 0.672996 2.425796 ] [ 1.742585 2.553059 0.6145101 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.094065e-11 6.220131e-11 2.703167e-11 ] [ 4.530106e-11 1.60144e-11 2.650194e-10 ] [ 6.482707e-11 2.949508e-10 2.588273e-10 ] [ 2.962565e-10 6.72996e-11 2.425796e-10 ] [ 1.742585e-10 2.553059e-10 6.145100999999999e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0249869 -0.1440874 0.6495309 ] [ 1.6796741 4.5023954 -0.9584298 ] [ -0.4141385 -3.9404202 0.4681143 ] [ -3.3527518 2.7771454 -2.7887611 ] [ 2.0622293 -3.1950333 2.6295456 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.003342700626752e-11 -2.308534636318579e-10 1.040663222467183e-09 ] [ 2.691134573583281e-09 7.213632647477465e-09 -1.53557381823802e-09 ] [ -6.635230224731808e-10 -6.31324912056806e-09 7.500017873221575e-10 ] [ -5.371700549305118e-09 4.449477432442265e-09 -4.468087835416491e-09 ] [ 3.304055571188749e-09 -5.119007655937472e-09 4.212996483647509e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.916233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.909190992060545e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4288897 0.6340212 0.292549 ] [ 0.5748721 0.4049743 2.6419281 ] [ 0.4834171 2.7676782 2.5902741 ] [ 2.877462 0.7731897 2.2470944 ] [ 1.9511968 2.3778568 0.777244 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.288897e-11 6.340211999999999e-11 2.92549e-11 ] [ 5.748721000000001e-11 4.049743000000001e-11 2.6419281e-10 ] [ 4.834171e-11 2.7676782e-10 2.5902741e-10 ] [ 2.877462e-10 7.731897e-11 2.2470944e-10 ] [ 1.9511968e-10 2.3778568e-10 7.772440000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.53e-05 -7.22e-05 -3.95e-05 ] [ -2.18e-05 -2.33e-05 2.7e-05 ] [ -5.65e-05 6.67e-05 -3.6e-06 ] [ 0.0001026 -8e-05 1.2e-05 ] [ 4.1e-05 0.0001089 4.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.0462213333824e-13 -1.1567715202176e-13 -6.32859765216e-14 ] [ -3.492745033344e-14 -3.733071526464e-14 4.32587687616e-14 ] [ -9.052297907519999e-14 1.0686518060736e-13 -5.76783583488e-15 ] [ 1.6438332129408e-13 -1.28174129664e-13 1.92261194496e-14 ] [ 6.56892414528e-14 1.7447703400512e-13 6.568924145279999e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.634197 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.18443916767815e-18 } }