{ "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" [ [ 2.06977 2.12479 1.528563 ] [ 2.041317 1.533814 3.912889 ] [ 1.700439 5.299543 2.410292 ] [ 0.6511626 3.199571 3.041419 ] [ 2.983959 3.688065 3.444542 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.06977e-10 2.12479e-10 1.528563e-10 ] [ 2.041317e-10 1.533814e-10 3.912889e-10 ] [ 1.700439e-10 5.299543e-10 2.410292e-10 ] [ 6.511626e-11 3.199571e-10 3.041419e-10 ] [ 2.983959e-10 3.688065e-10 3.444542e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5168358 -1.2339174 -2.6455571 ] [ 0.5816979 -2.4616928 1.8899878 ] [ -0.3753402 0.8211333 -0.1990895 ] [ -4.5345572 1.2197446 -0.2597214 ] [ 3.8113637 1.6547323 1.2143802 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.280622355524647e-10 -1.976953610278322e-09 -4.238649734611448e-09 ] [ 9.319827757484564e-10 -3.94406665175169e-09 3.028094266757226e-09 ] [ -6.013612932863962e-10 1.315600575820353e-09 -3.189765423467616e-10 ] [ -7.265161531520311e-09 1.954246281467048e-09 -4.161195550014451e-10 ] [ 6.106477813505784e-09 2.651173404742612e-09 1.945651565202428e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.9764283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.117747031894749e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1896666 2.394346 1.3130663 ] [ 1.8474645 2.2022587 4.3407298 ] [ 1.6308613 4.9108577 2.9488228 ] [ 0.3578598 2.9506166 2.6805829 ] [ 3.4207954 3.3877041 3.0545033 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1896666e-10 2.394346e-10 1.3130663e-10 ] [ 1.8474645e-10 2.2022587e-10 4.3407298e-10 ] [ 1.6308613e-10 4.910857700000001e-10 2.9488228e-10 ] [ 3.578598e-11 2.9506166e-10 2.6805829e-10 ] [ 3.4207954e-10 3.3877041e-10 3.0545033e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.4e-06 8e-07 -1.06e-05 ] [ -1.75e-05 2.3e-06 1.06e-05 ] [ -2e-06 5.1e-06 4.7e-06 ] [ 3.19e-05 -8.8e-06 1.9e-06 ] [ -3e-06 6e-07 -6.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.506046023552e-14 1.28174129664e-15 -1.698307218048e-14 ] [ -2.8038090864e-14 3.68500622784e-15 1.698307218048e-14 ] [ -3.2043532416e-15 8.17110076608e-15 7.53023011776e-15 ] [ 5.110943420352001e-14 -1.409915426304e-14 3.04413557952e-15 ] [ -4.8065298624e-15 9.6130597248e-16 -1.057436569728e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }