{ "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" [ [ 0.7826629 0.079664 0.3147899 ] [ 0.4004832 1.295186 0.8087518 ] [ 0.7320587 0.6290848 2.788823 ] [ 1.344916 2.662801 0.2560168 ] [ 0.3963272 2.667865 2.000738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.826629000000001e-11 7.9664e-12 3.147899e-11 ] [ 4.004832e-11 1.295186e-10 8.087518e-11 ] [ 7.320586999999999e-11 6.290848000000001e-11 2.788823e-10 ] [ 1.344916e-10 2.662801e-10 2.560168e-11 ] [ 3.963272e-11 2.667865e-10 2.000738e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 8.0745436 -24.7996711 -9.7970008 ] [ -14.0755 12.28205 4.1727351 ] [ 0.7721538 -1.8520495 3.3148526 ] [ 6.9096753 7.3425958 -5.9327129 ] [ -1.6808727 7.0270749 8.242126 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.293684508613424e-08 -3.973345356730508e-08 -1.569652576503931e-08 ] [ -2.2551437211867e-08 1.96780135276197e-08 6.685458677091652e-09 ] [ 1.237126776214309e-09 -2.967310433911382e-09 5.310979380874149e-09 ] [ 1.107052031418694e-08 1.176413542366654e-08 -9.505253984610377e-09 ] [ -2.693054964668492e-09 1.125861521014788e-08 1.320534169168388e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 3.313790367310327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.309277496478883e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0906453 0.1813598 0.3875497 ] [ -0.9323237 1.4230573 0.5940306 ] [ 1.1327598 0.5914373 2.7342291 ] [ 1.9934343 2.3862686 0.3732093 ] [ 0.3719323 2.7524777 2.0801008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0906453e-10 1.813598e-11 3.875497e-11 ] [ -9.323237e-11 1.4230573e-10 5.940305999999999e-11 ] [ 1.1327598e-10 5.914373000000001e-11 2.7342291e-10 ] [ 1.9934343e-10 2.3862686e-10 3.732093e-11 ] [ 3.719323e-11 2.7524777e-10 2.0801008e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-07 1.67e-05 -7.4e-06 ] [ 4.5e-06 -6.4e-06 5e-06 ] [ -2.9e-06 -1.58e-05 1.6e-05 ] [ -7.2e-06 -3.7e-06 1.8e-06 ] [ 5.4e-06 9.1e-06 -1.54e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.806529901999999e-16 2.67563497878e-14 -1.18561070916e-14 ] [ 7.209794853e-15 -1.02539304576e-14 8.010883169999999e-15 ] [ -4.6463122386e-15 -2.53143908172e-14 2.5634826144e-14 ] [ -1.15356717648e-14 -5.9280535458e-15 2.8839179412e-15 ] [ 8.6517538236e-15 1.45798073694e-14 -2.46735201636e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }