{ "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" [ 5.05932 0 0 ] "si-unit" "m" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.224512 5.44129 0 ] "si-unit" "m" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.327401 0.688972 5.24092 ] "si-unit" "m" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 8.1413597 4.5414787 -0.7952805 ] [ -0.9934017 -1.1330342 4.4511911 ] [ 7.4190165 7.0111279 -9.6694294 ] [ -11.444711 9.2964761 -6.1422806 ] [ 0.0809505 1.1479531 -2.2074463 ] [ -6.5297106 -6.7352017 3.8060828 ] [ 9.2830799 -7.1227854 5.768998 ] [ -5.9565833 -7.0060144 4.7881649 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.30438961728633e-08 7.276250997001177e-09 -1.274179824078134e-09 ] [ -1.591604978802976e-09 -1.815320905806831e-09 7.131594315133035e-09 ] [ 1.188657478562944e-08 1.12330652068186e-08 -1.549213372115617e-08 ] [ -1.833644839601259e-08 1.489459666324596e-08 -9.841018375713398e-09 ] [ 1.296969985420704e-10 1.839223618594885e-09 -3.536718853531463e-09 ] [ -1.046174966390994e-08 -1.079098270011242e-08 6.098016878989002e-09 ] [ 1.48731335847984e-08 -1.141196024285558e-08 9.242953721041958e-09 ] [ -9.543498503107713e-09 -1.122487247666814e-08 7.67148585931517e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.107894240654236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.581572113095187e-19 } }