{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4306185 -0.9468794 -2.5030363 ] [ 10.2732365 -1.2132081 8.0895325 ] [ 1.1189995 4.5834139 -2.5292572 ] [ 0.0 0.0 0.0 ] [ -11.7522726 3.2202933 -2.4275592 ] [ 0.0 0.0 0.0 ] [ 0.7906551 -5.6436197 -0.6296797 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.899268931839648e-10 -1.517068037397132e-09 -4.010306240873735e-09 ] [ 1.645953934024922e-08 -1.943773653985188e-09 1.296085984470178e-08 ] [ 1.79283483758689e-09 7.343438594029749e-09 -4.05231675383007e-09 ] [ 0.0 0.0 0.0 ] [ -1.882921640098843e-08 5.15947863737888e-09 -3.889378595847952e-09 ] [ 0.0 0.0 0.0 ] [ 1.266769116336286e-09 -9.04207554002631e-09 -1.008858093932358e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3559804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.018340319914303e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5106404 2.0580914 0.9476281 ] [ 3.8964509 1.9542354 6.2079495 ] [ 2.7113643 4.0360923 1.8956043 ] [ 3.6827774 0.214738 0.7021271 ] [ 4.1198867 3.8899063 5.1914924 ] [ 5.112634 6.9032635 2.8974661 ] [ 3.8540024 5.1666952 3.4028886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5106404e-10 2.0580914e-10 9.476281e-11 ] [ 3.8964509e-10 1.9542354e-10 6.2079495e-10 ] [ 2.7113643e-10 4.0360923e-10 1.8956043e-10 ] [ 3.6827774e-10 2.14738e-11 7.021271000000001e-11 ] [ 4.119886700000001e-10 3.8899063e-10 5.191492399999999e-10 ] [ 5.112634e-10 6.903263500000001e-10 2.8974661e-10 ] [ 3.8540024e-10 5.166695200000001e-10 3.4028886e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1154158 0.2985044 0.1369246 ] [ 0.0170422 -0.0788059 0.1121043 ] [ -0.3732537 -0.2932261 -0.4324027 ] [ -0.0427584 -0.2048617 -0.1084934 ] [ -0.1211987 0.608984 -0.5716237 ] [ -0.0344993 0.1488453 0.0490042 ] [ 0.4392521 -0.4794399 0.8144868 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.849164964309286e-10 4.782567708859315e-10 2.193773929323917e-10 ] [ 2.730461440699776e-11 -1.262609705611027e-10 1.796108885511494e-10 ] [ -5.980183517670969e-10 -4.698000020283628e-10 -6.927854967107961e-10 ] [ -6.850650882281473e-11 -3.282246262373433e-10 -1.738255889911027e-10 ] [ -1.94181723611353e-10 9.756999272412672e-10 -9.158421280351929e-10 ] [ -5.527397189396544e-11 2.384764597759623e-10 7.851338356100736e-11 ] [ 7.037594452573036e-10 -7.681473988586899e-10 1.304951708910206e-09 ] ] } "relaxed-potential-energy" { "source-value" -15.577457 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.495783741691731e-18 } }