{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7417279 1.9035998 2.0417901 ] [ -0.0499473 -0.6462124 -2.4085269 ] [ 0.7564486 -1.1486034 -0.9888505 ] [ -0.7457837 0.6340508 -1.2097556 ] [ -1.1117969 -1.5374341 0.817465 ] [ 2.5271766 -1.8668851 1.323598 ] [ 1.3656306 2.6614844 0.4242798 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.39273234197508e-09 3.049903094919556e-09 3.271308362800894e-09 ] [ -8.002439633208384e-11 -1.035346399351058e-09 -3.858885489747899e-09 ] [ 1.211964261756891e-09 -1.840265514051391e-09 -1.584313152566391e-09 ] [ -1.194877208313721e-09 1.015861368159537e-09 -1.938242139201877e-09 ] [ -1.781295000257916e-09 -2.463240971040689e-09 1.309723311322272e-09 ] [ 4.048983265152834e-09 -2.99107966093987e-09 2.120637770937639e-09 ] [ 2.187981419969077e-09 4.264168082303916e-09 6.797711762376999e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -28.798894 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.61409146716974e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6447336 3.7065357 3.1654468 ] [ 5.3925328 2.7628636 1.7410409 ] [ 3.3503137 1.6386102 2.15552 ] [ 5.5940576 2.1024323 3.9649839 ] [ 3.3381727 1.9357467 4.482401 ] [ 3.3758843 3.6522844 0.9561773 ] [ 4.8644113 4.2135651 3.4558395 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6447336e-10 3.7065357e-10 3.1654468e-10 ] [ 5.3925328e-10 2.762863600000001e-10 1.7410409e-10 ] [ 3.3503137e-10 1.6386102e-10 2.15552e-10 ] [ 5.594057600000001e-10 2.1024323e-10 3.9649839e-10 ] [ 3.3381727e-10 1.9357467e-10 4.482401e-10 ] [ 3.3758843e-10 3.6522844e-10 9.561773000000001e-11 ] [ 4.864411300000001e-10 4.2135651e-10 3.4558395e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.54e-05 -4e-06 2.07e-05 ] [ -5.76e-05 -5.9e-06 1.67e-05 ] [ 7.34e-05 2.91e-05 -8.8e-06 ] [ -2.17e-05 -2.97e-05 2.43e-05 ] [ 9.12e-05 0.0001143 -1.74e-05 ] [ 2.63e-05 4.08e-05 5.1e-06 ] [ -0.000137 -0.0001446 -4.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.069528616832e-14 -6.4087064832e-15 3.316505605055999e-14 ] [ -9.228537335808e-14 -9.45284206272e-15 2.675634956736e-14 ] [ 1.1759976396672e-13 4.662333966527999e-14 -1.409915426304e-14 ] [ -3.476723267136e-14 -4.758464563776e-14 3.893289188544e-14 ] [ 1.4611850781696e-13 1.8312878775744e-13 -2.787787320192e-14 ] [ 4.213724512704e-14 6.536880612864e-14 8.17110076608e-15 ] [ -2.194981970496e-13 -2.3167473936768e-13 -6.488815314240001e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.294376 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.853694096892462e-18 } }