{ "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" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6175702 -1.0630489 0.4486845 ] [ -0.2557486 0.3065609 -1.4016445 ] [ 11.6138986 -10.600971 -7.0417308 ] [ -9.6494297 3.3901798 4.4716235 ] [ -1.6481738 2.7694936 5.8508904 ] [ -0.6781166 5.1977856 -2.3278231 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.8945653614278e-10 -1.703192094347157e-09 7.188718160153377e-10 ] [ -4.097544277223309e-10 4.911647068314068e-10 -2.245682048572906e-09 ] [ 1.860751681326185e-08 -1.69846278939788e-08 -1.128209645772728e-08 ] [ -1.546009066939316e-08 5.431666815868419e-09 7.164330628719868e-09 ] [ -2.640665529375095e-09 4.437217897375227e-09 9.37415980974316e-09 ] [ -1.086462562696385e-09 8.3277705682509e-09 -3.72958374817818e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.822258 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.374787523506577e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1350066 0.478814 1.5041547 ] [ -0.2144321 2.7134959 0.4081826 ] [ 1.322138 2.5400841 2.4828819 ] [ 2.6052899 0.5089606 1.3995704 ] [ 3.17427 1.3798334 3.5642827 ] [ 2.2758729 2.5831298 0.0944439 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.350066e-11 4.78814e-11 1.5041547e-10 ] [ -2.144321e-11 2.7134959e-10 4.081826e-11 ] [ 1.322138e-10 2.5400841e-10 2.4828819e-10 ] [ 2.6052899e-10 5.089606e-11 1.3995704e-10 ] [ 3.17427e-10 1.3798334e-10 3.5642827e-10 ] [ 2.2758729e-10 2.5831298e-10 9.44439e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.37e-05 -4.84e-05 -3.83e-05 ] [ 3.07e-05 -3.5e-06 -3.9e-06 ] [ 1.08e-05 4.75e-05 -1.24e-05 ] [ -1.94e-05 -3.14e-05 6.4e-05 ] [ 2.74e-05 4.5e-06 -5.9e-05 ] [ -2.58e-05 3.13e-05 4.96e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.797158591296e-14 -7.754534844671999e-14 -6.136336457664001e-14 ] [ 4.918682225856e-14 -5.6076181728e-15 -6.24848882112e-15 ] [ 1.730350750464e-14 7.610338948800001e-14 -1.986699009792e-14 ] [ -3.108222644352e-14 -5.030834589312e-14 1.025393037312e-13 ] [ 4.389963940992e-14 7.2097947936e-15 -9.45284206272e-14 ] [ -4.133615681664e-14 5.014812823104e-14 7.946796039168e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.56418 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.294744842192295e-18 } }