{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8655469 -0.1638044 -0.0777611 ] [ -0.4446553 0.370843 4.5057887 ] [ -1.4250805 0.9028387 -2.1353901 ] [ -0.5561482 -3.4412784 -1.9127923 ] [ 1.0268286 -0.6217199 -1.8320885 ] [ -1.4085947 2.0721272 0.7399334 ] [ 3.673197 0.8809937 0.7123099 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.386759018811135e-09 -2.624435822263896e-10 -1.245870174541374e-10 ] [ -7.124163318442601e-10 5.941559894824619e-10 7.219069372881235e-09 ] [ -2.283230678669037e-09 1.446507069410936e-09 -3.421272122694923e-09 ] [ -8.910476510811587e-10 -5.513535843568905e-09 -3.064631128755118e-09 ] [ 1.645160790042932e-09 -9.961050966728166e-10 -2.935329386120109e-09 ] [ -2.25681751511624e-09 3.319913782515844e-09 1.185504004196175e-09 ] [ 5.885110405478898e-09 1.411507520841206e-09 1.141246277946877e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.781814 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.169396016893408e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8251134 2.4402537 1.7026543 ] [ 2.4986523 2.5840678 4.939966 ] [ 1.2713434 3.9708595 3.4417908 ] [ 3.4701695 1.4046913 3.0983122 ] [ 4.0662953 3.2767426 1.640538 ] [ 3.3051157 5.1167445 2.9677489 ] [ 4.5641425 3.3830466 4.0334067 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8251134e-10 2.4402537e-10 1.7026543e-10 ] [ 2.4986523e-10 2.5840678e-10 4.939966e-10 ] [ 1.2713434e-10 3.9708595e-10 3.4417908e-10 ] [ 3.4701695e-10 1.4046913e-10 3.0983122e-10 ] [ 4.0662953e-10 3.2767426e-10 1.640538e-10 ] [ 3.3051157e-10 5.1167445e-10 2.9677489e-10 ] [ 4.5641425e-10 3.3830466e-10 4.0334067e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.6e-06 -7e-07 4.7e-06 ] [ -4.3e-06 -5.8e-06 -6e-07 ] [ -1.62e-05 5.9e-06 -2.1e-06 ] [ 2e-05 4e-07 3.3e-06 ] [ -1.03e-05 8e-06 -1.75e-05 ] [ 2e-05 -5.6e-06 -6.1e-06 ] [ -1.6e-06 -2.1e-06 1.83e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.21765424184e-14 -1.1215236438e-15 7.530230179799999e-15 ] [ -6.8893595262e-15 -9.2926244772e-15 -9.613059803999998e-16 ] [ -2.59552614708e-14 9.452842140600001e-15 -3.364570931399999e-15 ] [ 3.204353268e-14 6.408706536e-16 5.2871828922e-15 ] [ -1.65024193302e-14 1.2817413072e-14 -2.8038091095e-14 ] [ 3.204353268e-14 -8.972189150399999e-15 -9.773277467399999e-15 ] [ -2.5634826144e-15 -3.364570931399999e-15 2.93198324022e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319343288959e-18 } }