{ "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" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6287471 -21.5486258 6.1055068 ] [ -14.4804873 21.0640281 -4.7570107 ] [ 0.6533689 -0.2445746 1.0058139 ] [ -1.0721391 0.0335922 0.0287246 ] [ 13.2845545 -0.2721781 -0.8882147 ] [ -0.0140441 0.9677582 -1.4948199 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.609540546315261e-09 -3.452470475156955e-08 9.782100333688108e-09 ] [ -2.320029840099375e-08 3.374829363973942e-08 -7.621571391227984e-09 ] [ 1.046812384962283e-09 -3.918517093898964e-10 1.611491528732412e-09 ] [ -1.717756214417789e-09 5.382063792465479e-11 4.602188294099639e-11 ] [ 2.128420281299955e-08 -4.360773921065153e-10 -1.42307683831532e-09 ] [ -2.25011288655594e-11 1.550519575401899e-09 -2.394965515818216e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.8506104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.418024117951739e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9637081 0.8857425 0.8279865 ] [ -0.319901 2.9640084 0.4020142 ] [ 0.6579933 2.7529597 2.6708205 ] [ 0.9235149 0.3566737 3.2501264 ] [ 2.1331883 3.152222 0.6182611 ] [ 2.8967456 1.5511109 2.3672295 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.637081e-11 8.857425000000001e-11 8.279865e-11 ] [ -3.19901e-11 2.9640084e-10 4.020142e-11 ] [ 6.579933000000001e-11 2.7529597e-10 2.6708205e-10 ] [ 9.235149e-11 3.566737e-11 3.2501264e-10 ] [ 2.1331883e-10 3.152222e-10 6.182611e-11 ] [ 2.8967456e-10 1.5511109e-10 2.3672295e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.6e-06 1e-06 1.23e-05 ] [ 2.06e-05 -4.3e-06 1.57e-05 ] [ 3.9e-06 -2e-06 -2.41e-05 ] [ 2.6e-06 -9e-06 2.4e-06 ] [ -3.9e-06 9.6e-06 -3e-07 ] [ -1.97e-05 4.7e-06 -5.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.767835882399999e-15 1.602176634e-15 1.97067725982e-14 ] [ 3.300483866039999e-14 -6.8893595262e-15 2.515417315379999e-14 ] [ 6.248488872599999e-15 -3.204353268e-15 -3.86124568794e-14 ] [ 4.165659248399999e-15 -1.4419589706e-14 3.845223921599999e-15 ] [ -6.248488872599999e-15 1.53808956864e-14 -4.806529901999999e-16 ] [ -3.15628796898e-14 7.530230179799999e-15 -9.452842140600001e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.045537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.891213772938245e-18 } }