{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8362316 -1.8394502 -2.1690646 ] [ 0.8960426 0.1343091 5.0363888 ] [ -1.1501089 -4.5851794 -5.1276103 ] [ -0.4244681 0.3253503 8.1943549 ] [ 1.7066044 1.0697404 -6.6627971 ] [ 0.3178581 0.3331493 5.887559 ] [ 1.2212665 0.9247371 -4.0488041 ] [ -0.7309628 3.6373433 -1.1100265 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.941967339894178e-09 -2.947124105565884e-09 -3.475224591124904e-09 ] [ 1.435618504960846e-09 2.151868999806893e-10 8.069184388618968e-09 ] [ -1.842677590954005e-09 -7.346267236853772e-09 -8.215337343233274e-09 ] [ -6.800728660953965e-10 5.212686442302662e-10 1.312880384331792e-08 ] [ 2.734281670634412e-09 1.71391305920524e-09 -1.067497774275404e-08 ] [ 5.092648165519085e-10 5.337640196958854e-10 9.43290938338063e-09 ] [ 1.956684634066243e-09 1.481592162006392e-09 -6.486899271219185e-09 ] [ -1.171131508834506e-09 5.827666397083521e-09 -1.778458506768451e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.39752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.466954656230042e-18 } }