{ "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" [ 5.5048 0 0 ] "si-unit" "m" "si-value" [ 5.5048e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0192448 5.36034 0 ] "si-unit" "m" "si-value" [ 1.92448e-12 5.36034e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.190348 0.0157222 5.58687 ] "si-unit" "m" "si-value" [ 1.90348e-11 1.57222e-12 5.58687e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0113409 -0.0687251 -0.0764128 ] [ 1.39555 1.34846 1.39039 ] [ 0.152538 2.8802 2.74744 ] [ 1.52254 4.15487 3.86439 ] [ 2.76536 0.0171046 2.52424 ] [ 4.13989 1.28016 4.0502 ] [ 2.78466 2.66896 -0.17742 ] [ 4.2307 4.05829 1.13615 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.13409e-12 -6.87251e-12 -7.641280000000001e-12 ] [ 1.39555e-10 1.34846e-10 1.39039e-10 ] [ 1.52538e-11 2.8802e-10 2.74744e-10 ] [ 1.52254e-10 4.15487e-10 3.864390000000001e-10 ] [ 2.76536e-10 1.71046e-12 2.52424e-10 ] [ 4.13989e-10 1.28016e-10 4.0502e-10 ] [ 2.78466e-10 2.66896e-10 -1.7742e-11 ] [ 4.2307e-10 4.058290000000001e-10 1.13615e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.794998 2.0587129 -1.5030571 ] [ -0.4911662 0.8170769 -1.6494516 ] [ -1.8213219 -1.9294909 -1.2131327 ] [ 0.6262069 -0.7963616 2.7270921 ] [ 1.5439711 0.2977927 0.2947742 ] [ 1.5567341 0.1761111 -0.3491893 ] [ -1.2207123 0.6558549 0.1346687 ] [ -0.9887097 -1.279696 1.5582957 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.273727209182758e-09 3.298421677319369e-09 -2.408162945347448e-09 ] [ -7.869350025671769e-10 1.30910150657574e-09 -2.642712790661154e-09 ] [ -2.918079367131036e-09 -3.091385210026351e-09 -1.94365284986798e-09 ] [ 1.003294054963644e-09 -1.275911937222881e-09 4.369283205388376e-09 ] [ 2.473714399610859e-09 4.771165017849081e-10 4.722803316550234e-10 ] [ 2.494162979822129e-09 2.821610870833709e-10 -5.594629326935175e-10 ] [ -1.955796707782996e-09 1.050795387417122e-09 2.15763042693529e-10 ] [ -1.584087566098182e-09 -2.050299012931277e-09 2.496664938833171e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.493776 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.443682539991214e-18 } }