{ "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" [ [ -2.4114453 -2.5597996 -3.4402553 ] [ 1.7685616 0.2297021 7.9945619 ] [ -1.9573031 -8.0571208 -8.6822864 ] [ -0.6726421 0.4722831 13.5709732 ] [ 3.5536301 2.3135071 -11.566219 ] [ -0.457287 -1.5989433 12.2802125 ] [ 1.972143 1.0263111 -6.6354406 ] [ -1.7956574 8.1740603 -3.5215462 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.863561281998043e-09 -4.101251073053192e-09 -5.51189661124329e-09 ] [ 2.833548047964641e-09 3.680233343686637e-10 1.280870016971843e-08 ] [ -3.135945266639364e-09 -1.290893057672139e-08 -1.39105562851698e-08 ] [ -1.077691446785816e-09 7.566809412189485e-10 2.174309598254336e-08 ] [ 5.693543065191166e-09 3.706646987674808e-09 -1.853112567285276e-08 ] [ -7.326545403957695e-10 -2.5617895732448e-09 1.967506936595592e-08 ] [ 3.159721407474375e-09 1.644331650087531e-09 -1.063114779802712e-08 ] [ -2.876960305246514e-09 1.309628830966943e-08 -5.642138990707081e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.397182 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.107771150980259e-18 } }