{ "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" [ 5.42356 0 0 ] "si-unit" "m" "si-value" [ 5.42356e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0141122 5.36968 0 ] "si-unit" "m" "si-value" [ 1.41122e-12 5.36968e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.125956 0.0899535 5.38067 ] "si-unit" "m" "si-value" [ -1.25956e-11 8.99535e-12 5.380670000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0132742 0.0797855 -0.0480858 ] [ 1.38077 1.28242 1.3281 ] [ 0.0139699 2.87381 2.72647 ] [ 1.34708 4.2887 4.09361 ] [ 2.73598 0.0766444 2.67003 ] [ 4.1072 1.37855 3.98819 ] [ 2.71459 2.70679 -0.0921964 ] [ 4.08895 4.12737 1.11939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.32742e-12 7.97855e-12 -4.80858e-12 ] [ 1.38077e-10 1.28242e-10 1.3281e-10 ] [ 1.39699e-12 2.873810000000001e-10 2.72647e-10 ] [ 1.34708e-10 4.2887e-10 4.09361e-10 ] [ 2.73598e-10 7.66444e-12 2.67003e-10 ] [ 4.1072e-10 1.37855e-10 3.98819e-10 ] [ 2.71459e-10 2.70679e-10 -9.21964e-12 ] [ 4.08895e-10 4.12737e-10 1.11939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1143087 -0.6664309 0.6221626 ] [ -0.8328446 3.095862 0.2295035 ] [ 0.4133727 -0.8574688 -1.5445058 ] [ -0.6841185 -1.1000903 -1.2003492 ] [ 0.9222027 -0.9777437 -0.6396721 ] [ -2.0121683 2.9797795 -0.9191055 ] [ 0.8538211 -1.4381587 0.3523888 ] [ -0.7745738 -1.035749 3.0995777 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.387495968294041e-09 -1.067740007358703e-09 9.96814372056142e-10 ] [ -1.334364146879528e-09 4.96011771762313e-09 3.677051420917728e-10 ] [ 6.622960756169722e-10 -1.373816464425431e-09 -2.474571083450001e-09 ] [ -1.096078666556765e-09 -1.762538959428858e-09 -1.923171425035983e-09 ] [ 1.477531605578636e-09 -1.566518097274489e-09 -1.02486768359804e-09 ] [ -3.22384900737488e-09 4.774133050039114e-09 -1.472569344148694e-09 ] [ 1.367972204765739e-09 -2.304184246140121e-09 5.645890967917671e-10 ] [ -1.241004033444215e-09 -1.659452832816979e-09 4.966070925293036e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.885957 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.749564132043411e-18 } }