{ "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" [ [ -0.5904384 0.4498542 0.1496164 ] [ 0.322637 0.0763421 -1.0400982 ] [ 0.0453885 -0.0201119 -0.4251712 ] [ 0.9001407 -0.238778 0.5131456 ] [ -0.7807701 -0.1706024 -0.053156 ] [ 0.2211179 -0.4960533 1.6425576 ] [ -0.0947944 0.6435046 0.7507716 ] [ -0.0232813 -0.2441553 -1.5376658 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.459866005025587e-10 7.207458820086874e-10 2.397118981682611e-10 ] [ 5.169214584050497e-10 1.223135278027757e-10 -1.666421019376163e-09 ] [ 7.27203935531808e-11 -3.222281597986752e-11 -6.811993564774811e-10 ] [ 1.442184384970547e-09 -3.825645291613824e-10 8.221498833863885e-10 ] [ -1.250931600439678e-09 -2.733351767323699e-10 -8.516530045524481e-11 ] [ 3.542699298203924e-10 -7.947649999306886e-10 2.631667385037358e-09 ] [ -1.518773714627635e-10 1.031008025497256e-09 1.202868705080609e-09 ] [ -3.730075456183104e-11 -3.911799135044103e-10 -2.463612195363729e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.73519 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.885626257864596e-18 } }