{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.21631e-10 0.0 0.0 ] "source-value" [ 5.21631 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.40777e-11 5.491e-10 0.0 ] "source-value" [ 0.340777 5.491 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.644140000000001e-12 2.61433e-11 5.31631e-10 ] "source-value" [ 0.0764414 0.261433 5.31631 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.042408409373155e-08 -6.188289598076034e-09 7.199722550055678e-09 ] [ -1.09350988075887e-08 -7.485431977701137e-09 -5.7480566440609e-09 ] [ -5.230733359759354e-10 -1.826071671150062e-09 6.686030438847513e-10 ] [ 6.390304363186477e-09 1.311838985550039e-09 -4.877214209903468e-09 ] [ 1.13003904308189e-09 1.153164876448283e-08 1.475240845489749e-08 ] [ 8.541572066107584e-11 -3.157330639520817e-09 -1.227745861689433e-08 ] [ 1.182851110380334e-09 6.676581602226346e-09 5.930342206262813e-09 ] [ -7.754522347694358e-09 -8.629453055935085e-10 -5.648346784242033e-09 ] ] "source-value" [ [ 6.5062016 -3.8624266 4.4937134 ] [ -6.8251519 -4.6720392 -3.5876548 ] [ -0.3264767 -1.1397443 0.4173092 ] [ 3.9885143 0.8187855 -3.0441177 ] [ 0.7053149 7.1974891 9.2077292 ] [ 0.0533123 -1.9706508 -7.662987 ] [ 0.7382776 4.1671945 3.7014285 ] [ -4.8399922 -0.5386081 -3.5254208 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.02562e-11 7.133879999999999e-12 -5.61849e-11 ] [ 1.48031e-10 1.58239e-10 7.79774e-11 ] [ 5.541660000000001e-11 2.97803e-10 2.26105e-10 ] [ 1.29704e-10 4.12978e-10 3.93608e-10 ] [ 3.06699e-10 -2.46774e-11 2.56051e-10 ] [ 4.28292e-10 1.50929e-10 4.5131e-10 ] [ 2.82838e-10 2.54855e-10 -6.98649e-11 ] [ 4.65405e-10 4.12903e-10 1.02077e-10 ] ] "source-value" [ [ -0.102562 0.0713388 -0.561849 ] [ 1.48031 1.58239 0.779774 ] [ 0.554166 2.97803 2.26105 ] [ 1.29704 4.12978 3.93608 ] [ 3.06699 -0.246774 2.56051 ] [ 4.28292 1.50929 4.5131 ] [ 2.82838 2.54855 -0.698649 ] [ 4.65405 4.12903 1.02077 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.239006879948945e-18 "source-value" -20.216291 } }