{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.114 2.095272 1.915779 ] [ 2.14246 0.9228837 3.956719 ] [ 3.791491 3.03012 0.940196 ] [ 4.524648 0.3016751 5.057567 ] [ 3.666195 2.4276 3.537085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.114e-10 2.095272e-10 1.915779e-10 ] [ 2.14246e-10 9.228837e-11 3.956719e-10 ] [ 3.791491000000001e-10 3.03012e-10 9.40196e-11 ] [ 4.524648e-10 3.016751e-11 5.057567e-10 ] [ 3.666195e-10 2.4276e-10 3.537085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.6564125 -1.9329638 0.075733 ] [ -0.3749589 -3.9500068 2.566849 ] [ 3.2576581 1.2903295 0.3307195 ] [ -3.648524 3.08716 -3.0611523 ] [ 5.4222372 1.5054811 0.0878508 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.46039524430088e-09 -3.096949409212727e-09 1.213376420230464e-10 ] [ -6.00750383340885e-10 -6.328608546961022e-09 4.112545456923859e-09 ] [ 5.219343646379748e-09 2.067335758028553e-09 5.298710509426657e-10 ] [ -5.8455798532277e-09 4.946175576668928e-09 -4.904506647768147e-09 ] [ 8.687381674272054e-09 2.412046621476267e-09 1.407524978785766e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.496751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.841982566735902e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9099201 2.0605622 2.0001933 ] [ 2.1355976 0.7632836 3.9928501 ] [ 4.0406979 2.7695948 1.2227463 ] [ 4.4236787 0.5680778 4.6043533 ] [ 3.7288996 2.6160323 3.587203 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9099201e-10 2.0605622e-10 2.0001933e-10 ] [ 2.1355976e-10 7.632835999999999e-11 3.9928501e-10 ] [ 4.0406979e-10 2.7695948e-10 1.2227463e-10 ] [ 4.4236787e-10 5.680778e-11 4.6043533e-10 ] [ 3.7288996e-10 2.6160323e-10 3.587203e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.4e-06 -2.1e-06 -3.7e-06 ] [ -1.13e-05 6e-07 -6.1e-06 ] [ -8.2e-06 8.8e-06 -1.9e-06 ] [ 2.04e-05 -3.78e-05 3.36e-05 ] [ 1.5e-06 3.06e-05 -2.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.84522388992e-15 -3.36457090368e-15 -5.928053496960001e-15 ] [ -1.810459581504e-14 9.6130597248e-16 -9.77327738688e-15 ] [ -1.313784829056e-14 1.409915426304e-14 -3.04413557952e-15 ] [ 3.268440306432e-14 -6.056227626623999e-14 5.383313445888e-14 ] [ 2.4032649312e-15 4.902660459647999e-14 -3.492745033344e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.607069 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.180092782941243e-18 } }