{ "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" [ [ 0.7988983 0.4673865 0.2218489 ] [ 0.3258309 0.1815657 2.151485 ] [ 0.290514 2.993692 1.621534 ] [ 2.152844 0.6900228 1.637351 ] [ 2.682916 2.279137 0.4360972 ] [ 1.831466 2.039249 2.911237 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.988983e-11 4.673865e-11 2.218489e-11 ] [ 3.258309e-11 1.815657e-11 2.151485e-10 ] [ 2.90514e-11 2.993692e-10 1.621534e-10 ] [ 2.152844e-10 6.900228e-11 1.637351e-10 ] [ 2.682916e-10 2.279137e-10 4.360972e-11 ] [ 1.831466e-10 2.039249e-10 2.911237e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.1330482 -2.1803682 -21.0134273 ] [ -24.0753139 0.4457334 8.0191286 ] [ 7.0257338 -16.1322462 -2.0225954 ] [ 23.6918951 -3.956962 5.1478406 ] [ -3.9199723 9.0577071 -1.2694286 ] [ 6.4107054 12.7661359 11.138482 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.463275630267952e-08 -3.493334954775779e-09 -3.366722194294047e-08 ] [ -3.857290506900127e-08 7.141436325896948e-10 1.284806036210864e-08 ] [ 1.125646643832434e-08 -2.584670770262964e-08 -3.240555063217625e-09 ] [ 3.795860043166608e-08 -6.339752005794009e-09 8.247749856925046e-09 ] [ -6.280487973243604e-09 1.451204655367417e-08 -2.033848824694875e-09 ] [ 1.027108231471631e-08 2.045360447693557e-08 1.784581545160163e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.9206062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.077150351403529e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7834579 0.6932975 -0.0251725 ] [ 0.1941458 0.4349369 2.4188984 ] [ 0.1033577 2.7144661 1.3312341 ] [ 2.5907973 0.1692157 1.6619475 ] [ 2.5000109 2.4487497 0.5742884 ] [ 1.9106996 2.1903871 3.0183572 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.834579e-11 6.932975e-11 -2.51725e-12 ] [ 1.941458e-11 4.349369e-11 2.4188984e-10 ] [ 1.033577e-11 2.7144661e-10 1.3312341e-10 ] [ 2.5907973e-10 1.692157e-11 1.6619475e-10 ] [ 2.5000109e-10 2.4487497e-10 5.742884e-11 ] [ 1.9106996e-10 2.1903871e-10 3.0183572e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.68e-05 -2.03e-05 2.23e-05 ] [ 6.19e-05 1.42e-05 -3.26e-05 ] [ 5.79e-05 1.83e-05 5.29e-05 ] [ -5.92e-05 5.44e-05 -4e-06 ] [ -4.9e-05 -4.91e-05 3.56e-05 ] [ -4.84e-05 -1.74e-05 -7.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.896009964544001e-14 -3.252418540224e-14 3.572853864384e-14 ] [ 9.917473282752e-14 2.275090801536e-14 -5.223095783807999e-14 ] [ 9.276602634432e-14 2.931983216064e-14 8.475514324032001e-14 ] [ -9.484885595136001e-14 8.715840817152e-14 -6.4087064832e-15 ] [ -7.85066544192e-14 -7.866687208128001e-14 5.703748770048e-14 ] [ -7.754534844671999e-14 -2.787787320192e-14 -1.1904172292544e-13 ] ] } "relaxed-potential-energy" { "source-value" -23.430495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.75397913027713e-18 } }