{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] "source-value" [ 5.42333 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] "source-value" [ 0.0707092 5.40512 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] "source-value" [ -0.00203562 -0.0726392 5.50089 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -8.919092943266688e-10 6.351729878211111e-10 1.734945793012455e-10 ] [ 4.639224170949581e-10 1.001927558523763e-10 -1.331996129833985e-09 ] [ 7.252588931141568e-11 5.00656161350688e-11 -5.113196080680845e-10 ] [ 1.224581402645691e-09 -3.050004352481991e-10 6.537420546385209e-10 ] [ -1.077221047729949e-09 -2.176406334754445e-10 6.01441081682112e-12 ] [ 4.18366287276793e-10 -6.728383977818362e-10 2.043656869314426e-09 ] [ -1.738033187360736e-10 8.277999592396397e-10 1.002232612952364e-09 ] [ -3.646217531850432e-11 -4.177518525427161e-10 -2.035824628903646e-09 ] ] "source-value" [ [ -0.556686 0.3964438 0.1082868 ] [ 0.2895576 0.0625354 -0.8313666 ] [ 0.0452671 0.0312485 -0.3191406 ] [ 0.7643236 -0.1903663 0.4080337 ] [ -0.6723485 -0.1358406 0.0037539 ] [ 0.2611237 -0.4199527 1.2755503 ] [ -0.1084795 0.5166721 0.6255444 ] [ -0.0227579 -0.2607402 -1.2706618 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.888787993208083e-18 "source-value" -36.754924 } }