{ "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" [ [ 1.4535242 -0.4640047 0.403433 ] [ -0.5340702 2.0481461 0.083333 ] [ 0.2465252 -0.6016621 -1.024434 ] [ -0.4804516 -0.7564552 -0.836659 ] [ 0.5941604 -0.6345201 -0.410206 ] [ -1.3770495 1.9832208 -0.6015489 ] [ 0.5998497 -0.9144638 0.2471726 ] [ -0.5024881 -0.660261 2.1389093 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.328802491007023e-09 -7.434174822813179e-10 6.463709206592064e-10 ] [ -8.556747883059803e-10 3.281491797402699e-09 1.335141843411264e-10 ] [ 3.949769118780442e-10 -9.639689502414317e-10 -1.641324204352627e-09 ] [ -7.697683209459533e-10 -1.211974836122588e-09 -1.340475489381907e-09 ] [ 9.519499018851764e-10 -1.016613269647678e-09 -6.572224629118849e-10 ] [ -2.20627651458433e-09 3.177469999644273e-09 -9.637875838479572e-10 ] [ 9.610651653338939e-10 -1.465132520927927e-09 3.960141610223501e-10 ] [ -8.050746860502126e-10 -1.057854737826029e-09 3.426910474471693e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.049836 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.173643821487419e-18 } }