{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2534982 0.1542352 3.060776 ] [ 0.1510578 0.1159192 -0.6526855 ] [ 0.4802491 -0.1548996 0.3093289 ] [ 3.0785903 -2.3875462 -2.268828 ] [ -2.6649462 1.0913569 3.0382959 ] [ -0.2457242 0.6742136 0.6642338 ] [ -0.5418162 0.4981786 -1.0043312 ] [ 2.9960877 0.008542400000000002 -3.1467899 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.212678794801058e-09 2.471120335803167e-10 4.903903789107984e-09 ] [ 2.420212775434451e-10 1.857230336719728e-10 -1.045717457450607e-09 ] [ 7.694438865195294e-10 -2.481765197359464e-10 4.955995358009226e-10 ] [ 4.93244544431905e-09 -3.825270734235491e-09 -3.635063208164952e-09 ] [ -4.269714532507091e-09 1.748546524534674e-09 4.867886698158e-09 ] [ -3.936935716483428e-10 1.080209276245022e-09 1.064219873873029e-09 ] [ -8.680852555626707e-10 7.981701124788323e-10 -1.609115981437181e-09 ] [ 4.800261706354801e-09 1.36864336782816e-11 -5.041713249887196e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.01763629230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.450226201143902e-18 } }