{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 11.3151082 11.0396142 -2.1108407 ] [ -0.8087858 -2.5905978 1.2148697 ] [ 4.0226122 -8.9345412 10.6622116 ] [ 0.8087858 2.5905978 -1.2148697 ] [ -10.0093506 7.3233776 -5.0566791 ] [ 0.1616493 0.2826732 -0.1011229 ] [ -5.4900191 -9.7111238 -3.393569 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.812880181986237e-08 1.76874117738917e-08 -3.381939619773106e-09 ] [ -1.295817699995025e-09 -4.150595229055915e-09 1.94643583065831e-09 ] [ 6.444935221384855e-09 -1.431471302821438e-08 1.708274615154256e-08 ] [ 1.295817699995025e-09 4.150595229055915e-09 -1.94643583065831e-09 ] [ -1.603674752071045e-08 1.173334437601041e-08 -8.101693032907986e-09 ] [ 2.589907292286855e-10 4.528923923667226e-10 -1.620167462074963e-10 ] [ -8.795980249765457e-09 -1.555893551405446e-08 -5.437096912871635e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.6449892 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.38507995833085e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4839255 2.0079367 3.736646 ] [ 1.7244976 5.4903188 1.8829607 ] [ 3.0986786 1.7312449 -0.2315717 ] [ 1.2062404 3.5909515 2.8607976 ] [ 2.9465091 0.9913035 1.8355565 ] [ 4.0531841 5.3686502 5.3002819 ] [ 3.5332917 3.2328315 5.2465238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4839255e-10 2.0079367e-10 3.736646e-10 ] [ 1.7244976e-10 5.4903188e-10 1.8829607e-10 ] [ 3.0986786e-10 1.7312449e-10 -2.315717e-11 ] [ 1.2062404e-10 3.5909515e-10 2.8607976e-10 ] [ 2.9465091e-10 9.913035e-11 1.8355565e-10 ] [ 4.053184100000001e-10 5.368650200000001e-10 5.3002819e-10 ] [ 3.5332917e-10 3.2328315e-10 5.246523800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0460181 0.3115482 0.3512498 ] [ -0.1995546 0.2378531 -0.1318689 ] [ 0.0588214 -0.2117273 -0.1310902 ] [ -0.1500623 0.0947529 0.0372024 ] [ 0.1992915 -0.2507873 -0.2477355 ] [ 0.154893 0.1661668 0.2295131 ] [ -0.0173709 -0.3478065 -0.1072707 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.372912395363649e-11 4.991552422923226e-10 5.627642176206759e-10 ] [ -3.197217146930957e-10 3.810826760048045e-10 -2.112772685906132e-10 ] [ 9.424227188272513e-11 -3.392245300451079e-10 -2.100296536559962e-10 ] [ -2.404263087234759e-10 1.518108811330003e-10 5.960481551764991e-11 ] [ 3.193001820241632e-10 -4.018055488535559e-10 -3.969160262421984e-10 ] [ 2.481659433255744e-10 2.662285621131495e-10 3.677205229873325e-10 ] [ -2.783124986225472e-11 -5.572474428622752e-10 -1.718666076368506e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.783468 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.368572680394493e-18 } }