{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.48715e-10 0.0 0.0 ] "source-value" [ 5.48715 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] "source-value" [ 0.0853536 5.45185 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] "source-value" [ -0.0925937 0.0373061 5.50955 ] } "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" [ [ -1.768734896856816e-09 -1.749003290683354e-10 8.475860394182093e-10 ] [ 1.570465379815154e-09 -1.216846414355793e-09 -1.290672469994988e-09 ] [ -1.893405867339437e-10 -5.347921364334528e-11 3.539075014470012e-09 ] [ -2.655629538578042e-09 -2.933188213100504e-09 2.8492138105275e-09 ] [ 2.407205965251844e-09 3.825142368372555e-09 -8.756502457611284e-10 ] [ -1.423769447544058e-09 5.757184564704922e-10 -3.901663765740922e-10 ] [ 6.133865901314727e-10 -2.903028680172902e-10 -2.19093647452848e-09 ] [ 1.44641653451439e-09 2.678563735598823e-10 -2.488449457774694e-09 ] ] "source-value" [ [ -1.1039575 -0.1091642 0.5290216 ] [ 0.9802074 -0.7594958 -0.8055744 ] [ -0.1181771 -0.0333791 2.2089169 ] [ -1.6575136 -1.8307521 1.7783394 ] [ 1.5024598 2.3874661 -0.5465379 ] [ -0.888647 0.3593352 -0.2435227 ] [ 0.3828458 -0.1811928 -1.367475 ] [ 0.9027822 0.1671828 -1.553168 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.81207209159795e-18 "source-value" -36.276101 } }