{ "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" [ 5.47211 0 0 ] "si-unit" "m" "si-value" [ 5.47211e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.102197 5.35978 0 ] "si-unit" "m" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0185088 0.0167086 5.27242 ] "si-unit" "m" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2157682 -0.8954556 -0.6913028 ] [ 1.5931253 1.1413795 1.2547688 ] [ -0.6538969 1.4668871 -1.4068645 ] [ -0.5162821 0.0934361 0.5745681 ] [ -1.0400715 -0.9524952 -2.6572364 ] [ 1.7908281 -0.4115295 -1.135543 ] [ -0.7181753 0.4158692 3.026098 ] [ 0.7602405 -0.8580916 1.0355119 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.947875386352099e-09 -1.434678027284437e-09 -1.107589184053578e-09 ] [ 2.552468109664987e-09 1.828691550360394e-09 2.010361235869271e-09 ] [ -1.047658325593596e-09 2.350212216973112e-09 -2.254045410533482e-09 ] [ -8.271751103575276e-10 1.497011349587309e-10 9.205595768774766e-10 ] [ -1.666378241260387e-09 -1.52606554086422e-09 -4.257362036018757e-09 ] [ 2.869222913691684e-09 -6.593429436695136e-10 -1.819340446513094e-09 ] [ -1.150643675296026e-09 6.662959095507993e-10 4.848343467849639e-09 ] [ 1.218039555285302e-09 -1.374814300024865e-09 1.659072956740187e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.479066 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.684373007302018e-18 } }