{ "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" [ [ 0.6977917 0.2559248 0.8783031 ] [ 0.349385 0.3940236 2.698898 ] [ 1.248694 1.36901 2.090768 ] [ 0.3246804 2.316928 0.2892628 ] [ 2.775341 0.8800459 0.0497676 ] [ 2.033969 2.77175 0.0650166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.977917e-11 2.559248e-11 8.783031e-11 ] [ 3.49385e-11 3.940236e-11 2.698898e-10 ] [ 1.248694e-10 1.36901e-10 2.090768e-10 ] [ 3.246804e-11 2.316928e-10 2.892628e-11 ] [ 2.775341e-10 8.800459e-11 4.976760000000001e-12 ] [ 2.033969e-10 2.77175e-10 6.50166e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.5893074 -30.538946 -40.5282637 ] [ -44.7367372 -44.7222556 50.2127966 ] [ 53.2007591 63.1253714 -0.8690411 ] [ -25.0948467 3.9300976 -4.2153095 ] [ 5.2468999 -6.7620641 -0.2773763 ] [ 19.9732323 14.9677966 -4.322806 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.376158750514443e-08 -4.892878530507367e-08 -6.49334365817573e-08 ] [ -7.167615443271367e-08 -7.165295235176188e-08 8.044976877750572e-08 ] [ 8.523701243883284e-08 1.01137994236397e-07 -1.392357332934315e-09 ] [ -4.020637668530004e-08 6.29671049218219e-09 -6.753670330336137e-09 ] [ 8.406460351457857e-09 -1.083402100937099e-08 -4.44405823024007e-10 ] [ 3.200064583286741e-08 2.398105377740973e-08 -6.925898709453965e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 29.302837 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.694832036451322e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5363667 -0.1186671 0.442602 ] [ 0.5742092 0.1755959 2.8469549 ] [ 1.111719 2.5200361 2.530835 ] [ -0.0121942 2.3082734 0.2662051 ] [ 2.7270912 0.423432 -0.4381756 ] [ 2.4926692 2.6790119 0.4235948 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.363667e-11 -1.186671e-11 4.42602e-11 ] [ 5.742092e-11 1.755959e-11 2.8469549e-10 ] [ 1.111719e-10 2.5200361e-10 2.530835e-10 ] [ -1.21942e-12 2.3082734e-10 2.662051e-11 ] [ 2.7270912e-10 4.23432e-11 -4.381756e-11 ] [ 2.4926692e-10 2.6790119e-10 4.235948e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-06 -3.58e-05 6.42e-05 ] [ -3.81e-05 -1.88e-05 -2.41e-05 ] [ -2.9e-06 1.92e-05 1.2e-06 ] [ 3e-07 -2e-06 3e-06 ] [ 2.1e-06 2.8e-06 -4.99e-05 ] [ 3.66e-05 3.47e-05 5.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-15 -5.735792302464001e-14 1.0285973905536e-13 ] [ -6.104292925248e-14 -3.012092047104e-14 -3.861245656128e-14 ] [ -4.646312200320001e-15 3.076179111936e-14 1.92261194496e-15 ] [ 4.8065298624e-16 -3.2043532416e-15 4.8065298624e-15 ] [ 3.36457090368e-15 4.48609453824e-15 -7.994861337792e-14 ] [ 5.863966432128e-14 5.559552874176001e-14 8.972189076479999e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.835031 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.376833983704325e-18 } }