{ "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" [ 5.51526 0 0 ] "si-unit" "m" "si-value" [ 5.51526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0933018 5.35906 0 ] "si-unit" "m" "si-value" [ -9.33018e-12 5.35906e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.235006 -0.443739 5.60819 ] "si-unit" "m" "si-value" [ 2.35006e-11 -4.43739e-11 5.60819e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0139599 -0.0171452 -0.258284 ] [ 1.4668 1.50235 1.27166 ] [ -0.150248 2.65293 3.01531 ] [ 1.35939 3.8116 4.44507 ] [ 2.6266 -0.11212 2.88055 ] [ 3.83653 1.13315 3.7283 ] [ 2.72617 2.6833 0.230289 ] [ 3.93014 4.1583 1.51189 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.39599e-12 -1.71452e-12 -2.58284e-11 ] [ 1.4668e-10 1.50235e-10 1.27166e-10 ] [ -1.50248e-11 2.65293e-10 3.01531e-10 ] [ 1.35939e-10 3.8116e-10 4.44507e-10 ] [ 2.6266e-10 -1.1212e-11 2.88055e-10 ] [ 3.83653e-10 1.13315e-10 3.7283e-10 ] [ 2.72617e-10 2.6833e-10 2.30289e-11 ] [ 3.930140000000001e-10 4.1583e-10 1.51189e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.8212986 5.4788661 4.7695013 ] [ -2.4890186 -2.4081365 1.5704376 ] [ -1.4437648 -2.8073307 7.4535483 ] [ 2.4574449 -6.9509469 -10.9752056 ] [ -3.0333542 -7.5492578 -2.4741376 ] [ 10.1492594 11.1661368 0.1105044 ] [ 6.8058952 7.3296483 3.0814523 ] [ -6.6251633 -4.2589792 -3.5361007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.326748519615772e-09 8.778111173913676e-09 7.641583475735207e-09 ] [ -3.987847409656347e-09 -3.858259999995139e-09 2.516118407145262e-09 ] [ -2.313166208493988e-09 -4.497839614394098e-09 1.194190082826359e-08 ] [ 3.937260765684194e-09 -1.113664461560223e-08 -1.758421782079324e-08 ] [ -4.859969181845487e-09 -1.209524435155204e-08 -3.964005419362223e-09 ] [ 1.626090612911463e-08 1.789012332561453e-08 1.770475661755315e-10 ] [ 1.090424617305494e-08 1.174339114494646e-08 4.937030833170388e-09 ] [ -1.061468174824218e-08 -6.823636902713487e-09 -5.665457870334514e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.612784 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.020790764800031e-18 } }