{ "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" [ [ 5.9244845 0.3060771 2.8038673 ] [ 3.2576077 -2.3170592 -3.6506727 ] [ -3.9777213 0.7070938 6.4321407 ] [ 0.5774053 -4.2697179 -2.9248289 ] [ -1.0978464 2.6641642 2.2957695 ] [ -0.7618617 4.8264778 -9.1222709 ] [ 0.3876125 4.5332791 3.7417694 ] [ -4.3096806 -6.4503149 0.4242256 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.492070556191978e-09 4.903895737822637e-10 4.492290635885619e-09 ] [ 5.21926289667806e-09 -3.712338079249551e-09 -5.849022450132812e-09 ] [ -6.373012070918183e-09 1.132889155072631e-09 1.030542545123615e-08 ] [ 9.251052723860103e-10 -6.840842196791273e-09 -4.686092483420181e-09 ] [ -1.758943835309445e-09 4.268461595212335e-09 3.678228219645706e-09 ] [ -1.220637004022943e-09 7.732869891970219e-09 -1.461548916458418e-08 ] [ 6.2102368542984e-10 7.263113789581265e-09 5.994975453104844e-09 ] [ -6.904869500435316e-09 -1.033454372957789e-08 6.796843382648525e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.597388 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.819412364074647e-18 } }