{ "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" [ [ 0.8538819 0.2948035 1.124997 ] [ -0.772331 2.4764373 0.9592689 ] [ 0.4952507 0.1283741 -1.2987718 ] [ -0.115768 -0.0714668 -0.5785809 ] [ 1.3791638 -1.318898 -0.680453 ] [ -0.9523355 2.6951839 -1.4569091 ] [ -0.1725248 -2.4446409 0.1756235 ] [ -0.7153372 -1.7597931 1.7548254 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.368069617104284e-09 4.723272754300129e-10 1.802443891870138e-09 ] [ -1.237410671719085e-09 3.967689944937076e-09 1.536918204640533e-09 ] [ 7.934790929748345e-10 2.056779817362413e-10 -2.080861813714334e-09 ] [ -1.854807830367744e-10 -1.145024361233894e-10 -9.269887912214227e-10 ] [ 2.209663996613687e-09 -2.113107540819878e-09 -1.090205888153222e-09 ] [ -1.525809673257878e-09 4.318160633336565e-09 -2.33422569865077e-09 ] [ -2.764152010681959e-10 -3.916746496231471e-09 2.813798657630688e-10 ] [ -1.146096537828534e-09 -2.819499362265156e-09 2.811540229466009e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -220.05394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.52565277982926e-17 } }