{ "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" [ [ -1.183691612235606e-09 1.068125651271329e-09 1.178601176676e-10 ] [ 9.642084756462413e-10 6.252382110308544e-11 -2.660350832644216e-09 ] [ -2.762046750602228e-10 1.223484552531091e-10 -1.270170377084582e-09 ] [ 2.155675771457913e-09 -1.094874470608571e-09 1.810663218152504e-09 ] [ -1.728992905777872e-09 -4.488161346080832e-11 -5.795737740731233e-10 ] [ 2.946785725863571e-10 -1.359011711578591e-09 4.416657004582838e-09 ] [ -2.604780297857741e-10 1.867682921692493e-09 1.671158976079192e-09 ] [ 3.480456338662464e-11 -6.219130536720461e-10 -3.506244172462551e-09 ] ] "source-value" [ [ -0.7388022 0.6666716 0.0735625 ] [ 0.6018116 0.0390243 -1.6604604 ] [ -0.1723934 0.0763639 -0.792778 ] [ 1.345467 -0.6833669 1.1301271 ] [ -1.0791525 -0.0280129 -0.3617415 ] [ 0.1839239 -0.8482284 2.7566605 ] [ -0.1625776 1.165716 1.0430554 ] [ 0.0217233 -0.3881676 -2.1884255 ] ] } "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" -5.857547792149752e-18 "source-value" -36.559938 } }