{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4104732 -0.4955239 3.7326567 ] [ -0.4425139 2.1673667 -2.5070023 ] [ -0.6691564 -0.0856839 -0.8745781 ] [ 1.397265 0.4083099 1.1031715 ] [ 1.9503186 -1.7147975 0.4935295 ] [ -0.2359485 2.0922756 -1.4086098 ] [ -2.464577 -3.5654522 -1.8078911 ] [ 0.8750854 1.1935052 1.2687235 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.576505645049625e-10 -7.939168076276372e-10 5.98037529821248e-09 ] [ -7.089854249590292e-10 3.472504255440448e-09 -4.016660473351828e-09 ] [ -1.072106739738693e-09 -1.372807413589651e-10 -1.401228584883684e-09 ] [ 2.238665316062112e-09 6.54184575821186e-10 1.767475586032867e-09 ] [ 3.124754864031387e-09 -2.747408463906288e-09 7.907214265751137e-10 ] [ -3.780311704128288e-10 3.352195050590292e-09 -2.256841689389764e-09 ] [ -3.948687649561402e-09 -5.712484157419926e-09 -2.896560853372395e-09 ] [ 1.402041369083416e-09 1.912206128243228e-09 2.032719129959548e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.875404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.747873355055481e-18 } }