{ "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" [ [ -2.0634242 -1.9944404 -2.1769128 ] [ 0.6704939 0.4529855 4.2471933 ] [ -3.5649752 -6.3792282 -5.5046453 ] [ -0.791483 1.0572169 9.4990225 ] [ 3.5052268 2.7907965 -6.26773 ] [ 1.0625223 1.2291574 3.4144705 ] [ 1.2583798 0.9793765 -3.0140143 ] [ -0.0767406 1.8641359 -0.1973841 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.305970012032944e-09 -3.195445780459e-09 -3.487798793680266e-09 ] [ 1.074249650969013e-09 7.257627776613983e-10 6.804753809278401e-09 ] [ -5.711719919171804e-09 -1.022065028078807e-08 -8.819414005456602e-09 ] [ -1.268095558360647e-09 1.693848200294652e-09 1.521911176995317e-08 ] [ 5.615992429561598e-09 4.471348905710467e-09 -1.004201047148678e-08 ] [ 1.702348388138644e-09 1.969327249563314e-09 5.470584807511287e-09 ] [ 2.016146695646979e-09 1.569134131260931e-09 -4.828983246216878e-09 ] [ -1.229519951861645e-10 2.986674956973967e-09 -3.162441903376493e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.289671038775918 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.648587037404963e-18 } }