{ "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" [ [ 1.26541 0.4689135 1.770405 ] [ 0.1075881 2.160004 0.6716672 ] [ 0.5668509 2.899878 2.242644 ] [ 2.824031 1.222886 2.646945 ] [ 2.932592 2.399832 0.52394 ] [ 1.820297 2.092873 2.325497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26541e-10 4.689135e-11 1.770405e-10 ] [ 1.075881e-11 2.160004e-10 6.716672e-11 ] [ 5.668509000000001e-11 2.899878e-10 2.242644e-10 ] [ 2.824031e-10 1.222886e-10 2.646945e-10 ] [ 2.932592e-10 2.399832e-10 5.2394e-11 ] [ 1.820297e-10 2.092873e-10 2.325497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.2474944 -6.2328889 -6.9403887 ] [ -4.8446168 -4.809246 -16.309882 ] [ -63.288303 35.6795023 36.6003138 ] [ 21.7596867 -18.9700719 47.1897583 ] [ -0.5026905 2.784419 -4.2839776 ] [ 60.123418 -8.4517145 -56.2558237 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.122482598672585e-08 -9.986188957897961e-09 -1.111972860601763e-08 ] [ -7.76193183764385e-09 -7.705261568357963e-09 -2.613131184369719e-08 ] [ -1.013990402721121e-07 5.716486489780926e-08 5.864016756742775e-08 ] [ 3.486286159390056e-08 -3.039340594347998e-08 7.560632811236756e-08 ] [ -8.05398973233777e-10 4.461131061065646e-09 -6.863688811299398e-09 ] [ 9.632833547581501e-08 -1.354113948913899e-08 -9.013176625856343e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 29.943126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.797417682611788e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9325122 -0.0070015 1.3198874 ] [ 0.0406034 2.2376942 0.3370227 ] [ 0.4793345 3.1337748 2.5866252 ] [ 3.3292137 0.9261015 3.9334338 ] [ 2.5844075 2.7139784 -0.257014 ] [ 2.1506978 2.2398391 2.2611431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.325122000000001e-11 -7.0015e-13 1.3198874e-10 ] [ 4.06034e-12 2.2376942e-10 3.370227e-11 ] [ 4.793345e-11 3.1337748e-10 2.5866252e-10 ] [ 3.3292137e-10 9.261015e-11 3.9334338e-10 ] [ 2.5844075e-10 2.7139784e-10 -2.57014e-11 ] [ 2.1506978e-10 2.2398391e-10 2.2611431e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0412513 0.0041518 -0.0374594 ] [ 0.0780725 -0.0203282 0.0260486 ] [ -0.1431832 0.094668 0.0769889 ] [ 0.0357306 0.0297869 0.0373545 ] [ -0.0058545 0.000203 0.0241733 ] [ 0.0764859 -0.1084815 -0.1271059 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.609186898212419e-11 6.651916949041198e-12 -6.001657540365959e-11 ] [ 1.25085935257965e-10 -3.25693670512788e-11 4.17344582684124e-11 ] [ -2.294047774213488e-10 1.51674857587512e-10 1.233498166573626e-10 ] [ 5.72467324388004e-11 4.77238751792946e-11 5.984850707475299e-11 ] [ -9.379943103753e-12 3.252418567019999e-13 3.87298964266722e-11 ] [ 1.225439218104606e-10 -1.738065245212709e-10 -2.036461030235405e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.299846 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.291087913099836e-18 } }