{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0969085 -0.4297334 -6.9380148 ] [ 0.9798795 1.3490065 6.017775 ] [ -4.755552 -9.0390333 -8.581135 ] [ 0.731016 -0.0906808 16.0000405 ] [ 4.0102216 1.9002931 -8.1466828 ] [ 5.1290416 -1.8131921 8.7279531 ] [ 0.175495 3.5141359 -5.6815054 ] [ -0.1731931 4.6092041 -1.3984304 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.768324257856797e-09 -6.885088066568947e-10 -1.111592510732439e-08 ] [ 1.569940026101194e-09 2.161346675607235e-09 9.641538414234721e-09 ] [ -7.619234233398682e-09 -1.448212782789267e-08 -1.374849387692861e-08 ] [ 1.171216744630733e-09 -1.452866577154407e-10 2.563489082095314e-08 ] [ 6.42508329174717e-09 3.044605177487557e-09 -1.305242471923348e-08 ] [ 8.217630538630626e-09 -2.905053991639256e-09 1.398372240425889e-08 ] [ 2.81173986067296e-10 5.630266381293967e-09 -9.102775122828952e-09 ] [ -2.774859357038764e-10 7.384759049515507e-09 -2.240532492695993e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.069634 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.696162824521279e-18 } }