{ "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" [ 5.44445 0 0 ] "si-unit" "m" "si-value" [ 5.44445e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.167308 5.39053 0 ] "si-unit" "m" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00577721 0.0671422 5.23553 ] "si-unit" "m" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0663122 0.114884 -0.548352 ] [ 1.65266 1.49476 1.67932 ] [ 0.0154179 2.74054 2.60324 ] [ 1.52833 4.11061 4.06642 ] [ 2.73369 0.0515698 2.61947 ] [ 3.80738 1.47511 4.06717 ] [ 2.81179 3.14543 -0.204063 ] [ 4.02065 4.01269 1.26672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.63122e-12 1.14884e-11 -5.48352e-11 ] [ 1.65266e-10 1.49476e-10 1.67932e-10 ] [ 1.54179e-12 2.74054e-10 2.60324e-10 ] [ 1.52833e-10 4.11061e-10 4.06642e-10 ] [ 2.733690000000001e-10 5.15698e-12 2.61947e-10 ] [ 3.807380000000001e-10 1.47511e-10 4.06717e-10 ] [ 2.81179e-10 3.14543e-10 -2.04063e-11 ] [ 4.02065e-10 4.01269e-10 1.26672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.2911511 -3.7399543 5.6285574 ] [ -8.2480138 13.0483321 -11.0447954 ] [ 0.2364269 0.5776027 1.4193402 ] [ -35.118791 24.113043 -27.9458471 ] [ 5.2289415 -11.2313882 7.4079346 ] [ -1.0533965 5.247799 -2.1064824 ] [ 32.2014575 -29.8256114 23.3177241 ] [ 3.4622244 1.810177 3.3235686 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.273005391383396e-09 -5.992067391687825e-09 9.01794314940779e-09 ] [ -1.321477498726955e-08 2.090573280329215e-08 -1.769571311719068e-08 ] [ 3.787976548290546e-10 9.254215496753117e-10 2.274033704136886e-09 ] [ -5.626650635452949e-08 3.863335406923726e-08 -4.477418324095666e-08 ] [ 8.377687891852912e-09 -1.799466774142332e-08 1.186881972232013e-08 ] [ -1.687727258637381e-09 8.407900937728564e-09 -3.374956881212241e-09 ] [ 5.159242278724405e-08 -4.778589767984402e-08 3.735911271107867e-08 ] [ 5.547095035344669e-09 2.900223292804218e-09 5.324943952416092e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.205988 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.718009174248439e-18 } }