{ "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" [ 5.35419 0 0 ] "si-unit" "m" "si-value" [ 5.35419e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.128546 5.3923 0 ] "si-unit" "m" "si-value" [ 1.28546e-11 5.3923e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0752915 -0.0875116 5.49588 ] "si-unit" "m" "si-value" [ 7.52915e-12 -8.75116e-12 5.495879999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00225511 0.0160353 -0.067451 ] [ 1.37153 1.32836 1.3623 ] [ 0.0305896 2.71279 2.89841 ] [ 1.38735 4.02786 4.05412 ] [ 2.7178 -0.0621827 2.7228 ] [ 3.99586 1.31169 4.14487 ] [ 2.78113 2.65016 0.11239 ] [ 4.13075 3.95144 1.3393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.25511e-13 1.60353e-12 -6.7451e-12 ] [ 1.37153e-10 1.32836e-10 1.3623e-10 ] [ 3.05896e-12 2.71279e-10 2.89841e-10 ] [ 1.38735e-10 4.027860000000001e-10 4.05412e-10 ] [ 2.7178e-10 -6.21827e-12 2.7228e-10 ] [ 3.99586e-10 1.31169e-10 4.14487e-10 ] [ 2.78113e-10 2.65016e-10 1.1239e-11 ] [ 4.13075e-10 3.95144e-10 1.3393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0277627999999996 0.3264956999999999 1.0294891999999995 ] [ -0.47091779999999983 0.024477999999999993 0.9212496999999996 ] [ -0.08832129999999998 -1.1778687999999995 -1.9356427999999994 ] [ 2.440853199999999 -0.8445700999999997 1.3320683999999996 ] [ -0.6222268999999998 0.17656419999999995 -0.10542179999999995 ] [ 0.9764602999999996 -0.7507148999999997 -0.2096738999999999 ] [ -2.099339899999999 1.1776201999999996 -1.5206847999999995 ] [ 0.8912551999999997 1.0679956999999995 0.48861599999999983 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.646657543454414e-09 5.231037816414736e-10 1.649423541195352e-09 ] [ -7.544934956946848e-10 3.921807964705198e-11 1.476004743419509e-09 ] [ -1.415063231445042e-10 -1.887153869277618e-09 -3.101241665930334e-09 ] [ 3.910677964064127e-09 -1.353150479995043e-09 2.134208865369765e-09 ] [ -9.969174002262543e-10 2.828870356409027e-10 -1.689043446742211e-10 ] [ 1.564461876688629e-09 -1.202777871575646e-09 -3.359346233396524e-10 ] [ -3.363513334603894e-09 1.886755568166406e-09 -2.436405654238962e-09 ] [ 1.427948256370996e-09 1.711117755752473e-09 7.828491381985437e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.02908429230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.612278036354506e-18 } }