{ "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" [ [ -1.1908131270974e-09 9.973801006209467e-10 1.289268322404518e-10 ] [ 8.187857931356949e-10 3.956911622155968e-11 -2.245608829101335e-09 ] [ -1.66075700458631e-10 1.122491349238963e-10 -1.043604498307647e-09 ] [ 1.914955463324521e-09 -8.556592471927585e-10 1.446918816885011e-09 ] [ -1.531124573762058e-09 -1.029561900879322e-10 -3.84800847288695e-10 ] [ 3.785480325906989e-10 -1.207003121850583e-09 3.72943346401115e-09 ] [ -2.338198936452691e-10 1.609503054051594e-09 1.461075969941724e-09 ] [ 9.54384569478144e-12 -5.930830069043846e-10 -3.09234106859832e-09 ] ] "source-value" [ [ -0.7432471 0.6225157 0.0804698 ] [ 0.5110459 0.0246971 -1.4015988 ] [ -0.1036563 0.0700604 -0.6513667 ] [ 1.1952212 -0.5340605 0.9030957 ] [ -0.9556528 -0.0642602 -0.2401738 ] [ 0.2362711 -0.7533521 2.3277293 ] [ -0.1459389 1.0045728 0.9119319 ] [ 0.0059568 -0.3701733 -1.9300875 ] ] } "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" -5.492968817080484e-18 "source-value" -34.284415 } }