{ "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" [ [ 0.1001977 -0.0961562 1.8830608 ] [ -0.5291882 1.2027523 -1.6176693 ] [ -0.5488432 -0.1793037 -0.4868153 ] [ 0.8654636 -0.1117519 0.5588791 ] [ 1.3351828 -1.0156496 0.4015523 ] [ -0.5509869 1.146684 -0.6168836 ] [ -1.5534148 -1.9768115 -1.1634377 ] [ 0.8815891 1.0302365 1.0413136 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.605344137205418e-10 -1.540592168542308e-10 3.016996014161347e-09 ] [ -8.478529690285187e-10 1.927021631549758e-09 -2.591791953999136e-09 ] [ -8.793437507697887e-10 -2.872761985297458e-10 -7.799640987337001e-10 ] [ 1.386625557497522e-09 -1.790462829851046e-10 8.954230352509493e-10 ] [ 2.139198684278695e-09 -1.627250057451446e-09 6.433577123889582e-10 ] [ -8.827783368200944e-10 1.837190311381656e-09 -9.883564898178023e-10 ] [ -2.488844895469783e-09 -3.167201195122491e-09 -1.864032698054701e-09 ] [ 1.412461456809089e-09 1.650620847793941e-09 1.668368318586422e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.227552 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.804293732141997e-18 } }