{ "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" [ [ 1.127389 1.171603 0.6946463 ] [ 1.009133 1.283908 2.574652 ] [ 0.7652821 2.93985 0.2651139 ] [ 0.0212665 2.421916 2.924129 ] [ 2.909562 0.955426 0.4927479 ] [ 2.967895 0.4293313 2.317144 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.127389e-10 1.171603e-10 6.946463000000001e-11 ] [ 1.009133e-10 1.283908e-10 2.574652e-10 ] [ 7.652821e-11 2.93985e-10 2.651139e-11 ] [ 2.12665e-12 2.421916e-10 2.924129e-10 ] [ 2.909562e-10 9.55426e-11 4.927479e-11 ] [ 2.967895e-10 4.293313e-11 2.317144e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.1040079 -14.4705501 -11.0477794 ] [ 22.0732621 -33.3934764 6.8380635 ] [ -5.5227261 20.0485967 -7.5629132 ] [ -29.1000621 34.4197933 13.1636337 ] [ 21.7849032 -1.0295552 -15.9218066 ] [ 6.8686309 -5.5748082 14.530802 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.58014649585585e-08 -2.31843770603351e-08 -1.770049386643585e-08 ] [ 3.536526448141071e-08 -5.350224717531654e-08 1.095578547124582e-08 ] [ -8.848382640501963e-09 3.212139291258803e-08 -1.211712271417971e-08 ] [ -4.662343916044815e-08 5.514658811802848e-08 2.1090466158915e-08 ] [ 3.49032625934311e-08 -1.649529271263068e-09 -2.550954629541914e-08 ] [ 1.100475984488446e-08 -8.93182736348413e-09 2.328091124587388e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.528411 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.648143368317355e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0579988 1.1215795 0.2484419 ] [ 0.9784457 0.8439481 2.6862827 ] [ 0.0573237 3.2920019 0.4957774 ] [ -0.0201287 3.0217372 2.8688969 ] [ 3.4021642 0.5965101 0.2979563 ] [ 3.3247239 0.3262576 2.6710778 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0579988e-10 1.1215795e-10 2.484419e-11 ] [ 9.784457e-11 8.439481e-11 2.6862827e-10 ] [ 5.73237e-12 3.2920019e-10 4.957774e-11 ] [ -2.01287e-12 3.0217372e-10 2.8688969e-10 ] [ 3.4021642e-10 5.965101000000001e-11 2.979563e-11 ] [ 3.3247239e-10 3.262576e-11 2.6710778e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.18e-05 2.3e-06 -9e-07 ] [ -1.85e-05 2.13e-05 4.3e-06 ] [ -7.9e-06 -4.1e-06 -1.3e-06 ] [ 2.6e-06 -7.8e-06 4.6e-06 ] [ 3.4e-06 -2.8e-06 -3.6e-06 ] [ 8.6e-06 -8.8e-06 -3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.890568412544e-14 3.68500622784e-15 -1.44195895872e-15 ] [ -2.96402674848e-14 3.412636202304e-14 6.889359469440001e-15 ] [ -1.265719530432e-14 -6.568924145279999e-15 -2.08282960704e-15 ] [ 4.16565921408e-15 -1.249697764224e-14 7.370012455680001e-15 ] [ 5.44740051072e-15 -4.48609453824e-15 -5.76783583488e-15 ] [ 1.377871893888e-14 -1.409915426304e-14 -4.8065298624e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.081804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.416371376828793e-18 } }