{ "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" [ [ -0.5221018 0.3989798 0.0733746 ] [ 0.299678 0.0345219 -0.7930701 ] [ -0.0145866 0.0458062 -0.3451528 ] [ 0.7375149 -0.2538069 0.4421823 ] [ -0.6124034 -0.0807963 -0.0612087 ] [ 0.2270979 -0.4522409 1.295794 ] [ -0.1042357 0.557013 0.5674103 ] [ -0.0109634 -0.2494768 -1.1793297 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.364992976375974e-10 6.392361077314599e-10 1.175590686805517e-10 ] [ 4.801370853681024e-10 5.531018108559552e-11 -1.270638372875518e-09 ] [ -2.337030949696128e-11 7.338962272768895e-11 -5.529957467636582e-10 ] [ 1.18162913027165e-09 -4.066434813777235e-10 7.084541431915718e-10 ] [ -9.81178409978431e-10 -1.29449942907143e-10 -9.806714812956096e-11 ] [ 3.638509460127763e-10 -7.245697969495508e-10 2.076090852172915e-09 ] [ -1.670040015927226e-10 8.924332060816704e-10 9.090915170611143e-10 ] [ -1.756530316447872e-11 -3.997058963919974e-10 -1.889494473555078e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.680335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.794007910971197e-18 } }