{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7026703 0.5674037 0.1346752 ] [ 0.4352893 0.0238468 -1.1930298 ] [ -0.0224926 0.0766532 -0.5345335 ] [ 1.0909014 -0.3775989 0.6864006 ] [ -0.9423862 -0.109808 -0.1096578 ] [ 0.2737587 -0.6348715 1.9490552 ] [ -0.1648461 0.7961558 0.7919502 ] [ 0.0324459 -0.3417809 -1.72486 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12580193606577e-09 9.090809501851457e-10 2.157734586192768e-10 ] [ 6.974103454902161e-10 3.82067857556712e-11 -1.911444469225693e-09 ] [ -3.60371181579084e-11 1.228119659613288e-10 -8.564170837902388e-10 ] [ 1.747816733077887e-09 -6.049801346041025e-10 1.09973500288358e-09 ] [ -1.509869149844051e-09 -1.75931811826272e-10 -1.756911648958452e-10 ] [ 4.386097924942158e-10 -1.017176282892531e-09 3.122730699816197e-09 ] [ -2.641125696260274e-10 1.275582219783577e-09 1.268844105731627e-09 ] [ 5.198406284910059e-11 -5.475933719274905e-10 -2.76353038892124e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.64671 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.871450247497413e-18 } }