{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.51396e-10 0.0 0.0 ] "source-value" [ 5.51396 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.81329e-12 5.46551e-10 0.0 ] "source-value" [ 0.0181329 5.46551 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.47171e-11 -2.72143e-13 5.46493e-10 ] "source-value" [ 0.147171 -0.00272143 5.46493 ] } "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" [ [ 6.611253651601536e-10 2.714257026357005e-09 -4.595576073269127e-10 ] [ -5.187801435028398e-10 -4.474691847229766e-10 -3.355984839169133e-10 ] [ 2.20621803513767e-10 3.62428373391168e-10 -3.356771507889945e-10 ] [ 5.07078966988151e-10 6.924363824251238e-10 -7.835794038525736e-10 ] [ 1.114690831925274e-09 -2.022135952290855e-10 -2.428124303648333e-10 ] [ 8.802625918170874e-10 -2.517842990059892e-09 -1.224258243621276e-09 ] [ -1.257683172719729e-09 5.881112926323802e-10 1.46151704916543e-09 ] [ -1.607316243181865e-09 -1.189707304793724e-09 1.919966270706073e-09 ] ] "source-value" [ [ 0.412642 1.694106 -0.2868333 ] [ -0.3237971 -0.2792883 -0.2094641 ] [ 0.1377013 0.22621 -0.2095132 ] [ 0.3164938 0.4321848 -0.4890718 ] [ 0.6957353 -0.1262118 -0.1515516 ] [ 0.5494167 -1.571514 -0.7641219 ] [ -0.7849841 0.3670702 0.9122072 ] [ -1.0032079 -0.7425569 1.1983487 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -8.12176e-12 -1.17418e-11 -3.78641e-12 ] [ 1.41633e-10 1.35692e-10 1.32004e-10 ] [ 8.25096e-12 2.73802e-10 2.72856e-10 ] [ 1.5042e-10 4.09281e-10 4.08646e-10 ] [ 2.79856e-10 -1.35645e-12 2.62504e-10 ] [ 4.22175e-10 1.43085e-10 4.07963e-10 ] [ 2.7526e-10 2.68069e-10 -1.68753e-11 ] [ 4.2604e-10 4.00574e-10 1.18537e-10 ] ] "source-value" [ [ -0.0812176 -0.117418 -0.0378641 ] [ 1.41633 1.35692 1.32004 ] [ 0.0825096 2.73802 2.72856 ] [ 1.5042 4.09281 4.08646 ] [ 2.79856 -0.0135645 2.62504 ] [ 4.22175 1.43085 4.07963 ] [ 2.7526 2.68069 -0.168753 ] [ 4.2604 4.00574 1.18537 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.016278062255074e-16 "source-value" 634.31088 } }