{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5349684 -0.1539351 -3.2906363 ] [ 0.4038711 0.7010952 1.6117943 ] [ -0.4055158 0.697128 0.3596381 ] [ -0.0827679 -0.5705611 0.8934071 ] [ -1.1404249 0.3622127 1.400709 ] [ 0.5874675 0.5861119 0.721599 ] [ 0.089379 1.6421689 -1.8230462 ] [ 0.0130226 -3.2642206 0.126535 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.571138633467828e-10 -2.466312183405101e-10 -5.272180547415815e-09 ] [ 6.470728342367789e-10 1.1232783383951e-09 2.582379144998701e-09 ] [ -6.497079341250086e-10 1.116922183305062e-09 5.762037557689325e-10 ] [ -1.326087943327123e-10 -9.141396551579309e-10 1.431395968476728e-09 ] [ -1.827162112558178e-09 5.803287196968442e-10 2.244183212344148e-09 ] [ 9.412266939798242e-10 9.390547833526676e-10 1.156129047392659e-09 ] [ 1.432009441904832e-10 2.631044618984853e-09 -2.920842000278281e-09 ] [ 2.086450526203008e-11 -5.229857930453748e-09 2.02731418712928e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.624541 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.707680671693106e-18 } }