{ "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" [ 5.41274 0 0 ] "si-unit" "m" "si-value" [ 5.412740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00162551 5.52562 0 ] "si-unit" "m" "si-value" [ 1.62551e-13 5.52562e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0447781 -0.0207227 5.37358 ] "si-unit" "m" "si-value" [ 4.47781e-12 -2.07227e-12 5.37358e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0391133 0.018955 -0.194937 ] [ 1.34586 1.33293 1.3663 ] [ 0.0913327 2.8499 2.77756 ] [ 1.30939 4.04312 4.06983 ] [ 2.74681 -0.0301059 2.75341 ] [ 4.03842 1.37613 4.21696 ] [ 2.56627 2.70409 -0.0178064 ] [ 4.07687 4.07853 1.33472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.91133e-12 1.8955e-12 -1.94937e-11 ] [ 1.34586e-10 1.33293e-10 1.3663e-10 ] [ 9.13327e-12 2.8499e-10 2.77756e-10 ] [ 1.30939e-10 4.04312e-10 4.06983e-10 ] [ 2.74681e-10 -3.01059e-12 2.75341e-10 ] [ 4.03842e-10 1.37613e-10 4.21696e-10 ] [ 2.56627e-10 2.70409e-10 -1.78064e-12 ] [ 4.07687e-10 4.07853e-10 1.33472e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2567396 -0.1448311 1.2321219 ] [ -0.6382562 -0.995863 0.7469516 ] [ -1.2229103 -1.2032434 -1.2542531 ] [ 1.1980483 0.8328274 0.1764582 ] [ 0.3799902 0.0842735 -0.4779773 ] [ -0.1320414 0.6486597 -1.1310117 ] [ 0.2040861 0.7065306 0.9017882 ] [ -0.0456562 0.0716463 -0.1940777 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.113421847535437e-10 -2.320450023847469e-10 1.974076902155676e-09 ] [ -1.022599161720649e-09 -1.595548416119751e-09 1.196748390389153e-09 ] [ -1.959318291995514e-09 -1.927808444611903e-09 -2.009534993385924e-09 ] [ 1.919484976849185e-09 1.33433658944165e-09 2.827172025884506e-10 ] [ 6.088114145731162e-10 1.350210314529888e-10 -7.658040553331079e-10 ] [ -2.115536440577011e-10 1.039267406195142e-09 -1.812080503591263e-09 ] [ 3.269819780502508e-10 1.131986809199797e-09 1.444823970953315e-09 ] [ -7.314929623456897e-11 1.14790026826823e-10 -3.109467535586361e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 651.68549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.044115256192592e-16 } }