{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.831993 2.8167764 3.2336631 ] [ -1.4752892 0.9379148 -0.9359925 ] [ -0.0133714 -0.2938217 -0.9067027 ] [ 3.1419516 -1.8905478 -3.0685227 ] [ -0.2552539 1.5335216 1.0541211 ] [ 0.8874732 -2.4187912 -2.4391587 ] [ -1.0148743 1.112788 4.667333 ] [ 0.561357 -1.7978401 -1.6047407 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.935176354069255e-09 4.512973294101189e-09 5.180899418363652e-09 ] [ -2.363673865158735e-09 1.502705164862308e-09 -1.499625300744144e-09 ] [ -2.142334446736512e-11 -4.707542584237114e-10 -1.452697867956236e-09 ] [ 5.033961397205153e-09 -3.028991485664874e-09 -4.916315330334092e-09 ] [ -4.089618309480211e-10 2.45697245501181e-09 1.688888181911979e-09 ] [ 1.421888812626563e-09 -3.875330711236777e-09 -3.907963043560921e-09 ] [ -1.626007876510766e-09 1.782882917506791e-09 7.477891814088326e-09 ] [ 8.993930613224257e-10 -2.880457376156734e-09 -2.571078031986227e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.339717 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.822264498388832e-18 } }