{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45078e-10 0.0 0.0 ] "source-value" [ 5.45078 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] "source-value" [ 0.124172 5.56718 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] "source-value" [ -0.0770044 0.0388551 5.42613 ] } "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" [ [ -5.560744893581875e-10 7.029291973324052e-10 2.976072713403485e-09 ] [ -2.485667598507999e-09 -1.324548892465183e-09 2.757541429944538e-10 ] [ -2.86565310396288e-12 -7.948012091223187e-10 -8.685556474665638e-10 ] [ 1.866896573407004e-09 4.044331185116679e-10 -3.678137696666631e-10 ] [ -2.389697859792727e-09 -9.257198673377493e-10 1.442157628620979e-10 ] [ 1.750483541663311e-09 -2.221608543757075e-10 2.994224573428838e-10 ] [ -6.942433172180621e-10 7.643486380907732e-10 -1.586491632117692e-09 ] [ 2.511168802910625e-09 1.395520029583774e-09 -8.726040273520013e-10 ] ] "source-value" [ [ -0.34707440000000006 0.4387339000000001 1.8575185000000005 ] [ -1.5514317000000004 -0.8267184000000002 0.17211220000000002 ] [ -0.0017886000000000004 -0.4960759000000001 -0.5421098000000001 ] [ 1.1652252000000003 0.2524273000000001 -0.22957130000000006 ] [ -1.4915321000000001 -0.5777889000000002 0.09001240000000002 ] [ 1.0925659000000003 -0.13866190000000003 0.18688480000000002 ] [ -0.4333126000000001 0.47706890000000013 -0.9902102000000003 ] [ 1.5673483000000004 0.8710151000000003 -0.5446366000000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -6.662036562209737e-18 "source-value" -41.581162 } }