{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] "source-value" [ 5.05932 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] "source-value" [ 0.224512 5.44129 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] "source-value" [ 0.327401 0.688972 5.24092 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 8.336339649689588e-09 1.264188650670826e-09 -4.54209990376136e-09 ] [ -2.842874958944966e-10 3.901027701622464e-10 1.061956870737094e-08 ] [ 1.127531123973819e-08 8.138997312258382e-09 -1.006321495862775e-08 ] [ -1.385110736143735e-08 5.867104935910485e-09 -6.716225860531422e-09 ] [ 7.800043069409203e-10 1.966634471316736e-09 -4.130792326022826e-09 ] [ -7.815012526012663e-09 -6.31036135742673e-09 -1.86807785822952e-09 ] [ 6.296910443824466e-09 -4.868790766319612e-09 5.499127584010839e-09 ] [ -4.738158096630995e-09 -6.447876337007657e-09 1.120171477600876e-08 ] ] "source-value" [ [ 5.203134 0.7890445 -2.8349558 ] [ -0.1774383 0.243483 6.6282135 ] [ 7.0374958 5.0799626 -6.2809648 ] [ -8.6451813 3.6619589 -4.1919385 ] [ 0.4868404 1.2274767 -2.5782378 ] [ -4.8777472 -3.9386178 -1.1659625 ] [ 3.9302224 -3.0388602 3.4322855 ] [ -2.9573257 -4.0244479 6.9915605 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.795539111167695e-18 "source-value" -23.689892 } }