{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0140975 0.5833675 2.011711 ] [ 0.3860738 2.863563 1.325373 ] [ 1.128451 1.622429 0.5509609 ] [ 2.086312 0.6042059 2.517228 ] [ 2.318087 2.883056 0.8671461 ] [ 2.902063 1.818717 2.74846 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.40975e-12 5.833675e-11 2.011711e-10 ] [ 3.860738e-11 2.863563e-10 1.325373e-10 ] [ 1.128451e-10 1.622429e-10 5.509609e-11 ] [ 2.086312e-10 6.042059e-11 2.517228e-10 ] [ 2.318087e-10 2.883056e-10 8.671461e-11 ] [ 2.902063e-10 1.818717e-10 2.74846e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -281.8947757 -115.4976529 159.8822357 ] [ -473.4323714 728.1412596 447.0070223 ] [ 614.317572 -918.1021917 -292.7431378 ] [ -611.9189094 -773.2914059 -499.9374925 ] [ 267.1664423 0.3399699 291.6351177 ] [ 485.7620421 1078.410021 -105.8437454 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.516452191522e-07 -1.850476392336533e-07 2.561595801197751e-07 ] [ -7.585222769869826e-07 1.166610902770984e-06 7.161842004624843e-07 ] [ 9.842452516050208e-07 -1.47096186704698e-06 -4.690262112827928e-07 ] [ -9.804021704661133e-07 -1.238949411598543e-06 -8.009881623448754e-07 ] [ 4.280478277153722e-07 5.446918255557139e-10 4.672509673831963e-07 ] [ 7.782765871246854e-07 1.727803323282637e-06 -1.695803743377875e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 647.46363 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.037351090804301e-16 } "relaxed-configuration-positions" { "source-value" [ [ -0.5457146 0.712256 1.9398332 ] [ -0.1964958 3.4947926 1.8233588 ] [ 1.6447403 0.8113285 -0.0240737 ] [ 2.0707222 -0.2080126 2.7043214 ] [ 2.344463 3.3764298 0.6688221 ] [ 3.5173692 2.1885441 2.9086172 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.457146000000001e-11 7.12256e-11 1.9398332e-10 ] [ -1.964958e-11 3.4947926e-10 1.8233588e-10 ] [ 1.6447403e-10 8.113285e-11 -2.40737e-12 ] [ 2.0707222e-10 -2.080126e-11 2.7043214e-10 ] [ 2.344463e-10 3.3764298e-10 6.688221e-11 ] [ 3.5173692e-10 2.1885441e-10 2.9086172e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.19e-05 1.67e-05 -3.13e-05 ] [ 9.2e-06 -3.31e-05 3.07e-05 ] [ -3.12e-05 -4.75e-05 -1.79e-05 ] [ -2.2e-05 3.09e-05 6e-06 ] [ 2.94e-05 3.1e-06 4.15e-05 ] [ -1.73e-05 2.98e-05 -2.9e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.110943420352001e-14 2.675634956736e-14 -5.014812823104e-14 ] [ 1.474002491136e-14 -5.303204614848e-14 4.918682225856e-14 ] [ -4.998791056896e-14 -7.610338948800001e-14 -2.867896151232001e-14 ] [ -3.52478856576e-14 4.950725758272e-14 9.6130597248e-15 ] [ 4.710399265152e-14 4.96674752448e-15 6.64903297632e-14 ] [ -2.771765553984e-14 4.774486329984001e-14 -4.64631220032e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.691321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.514026765566808e-18 } }