{ "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" [ 5.44445 0 0 ] "si-unit" "m" "si-value" [ 5.44445e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.167308 5.39053 0 ] "si-unit" "m" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00577721 0.0671422 5.23553 ] "si-unit" "m" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0663122 0.114884 -0.548352 ] [ 1.65266 1.49476 1.67932 ] [ 0.0154179 2.74054 2.60324 ] [ 1.52833 4.11061 4.06642 ] [ 2.73369 0.0515698 2.61947 ] [ 3.80738 1.47511 4.06717 ] [ 2.81179 3.14543 -0.204063 ] [ 4.02065 4.01269 1.26672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.63122e-12 1.14884e-11 -5.48352e-11 ] [ 1.65266e-10 1.49476e-10 1.67932e-10 ] [ 1.54179e-12 2.74054e-10 2.60324e-10 ] [ 1.52833e-10 4.11061e-10 4.06642e-10 ] [ 2.733690000000001e-10 5.15698e-12 2.61947e-10 ] [ 3.807380000000001e-10 1.47511e-10 4.06717e-10 ] [ 2.81179e-10 3.14543e-10 -2.04063e-11 ] [ 4.02065e-10 4.01269e-10 1.26672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1583431 -0.257187 4.5886495 ] [ -10.9883329 17.6555016 -11.3615526 ] [ -1.3366496 1.1053508 2.7331159 ] [ -85.1650726 57.9553356 -73.5661212 ] [ 11.8151794 -17.8275724 13.8815527 ] [ -4.9180955 4.3288287 -5.5522402 ] [ 82.6466897 -67.8796937 60.379516 ] [ 8.1046246 4.9194364 8.89708 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.536936128849965e-10 -4.120589985736896e-10 7.35182694994561e-09 ] [ -1.760525007394746e-08 2.8287231892017e-08 -1.820321395170945e-08 ] [ -2.141548739321672e-09 1.770967209542577e-09 4.378934396916751e-09 ] [ -1.364494882284547e-07 9.285468374893794e-08 -1.178659194695792e-07 ] [ 1.893000420523777e-08 -2.856291970489935e-08 2.224069919634312e-08 ] [ -7.879657628961686e-09 6.935548138588057e-09 -8.895669441505918e-09 ] [ 1.324145940238522e-07 -1.087552582732051e-07 9.673864891041954e-08 ] [ 1.298504005448055e-08 7.881805987592518e-09 1.425469356938727e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -46.647119 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.473692348947549e-18 } }