{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5673543 -0.1738445 -2.607068 ] [ 0.3782342 0.4679837 1.4157776 ] [ -0.3156531 0.6437155 0.3605748 ] [ -0.0014142 -0.6115324 0.8408931 ] [ -0.8694909 0.2228075 1.1606291 ] [ 0.5426541 0.5066994 0.5928295 ] [ -0.3140294 1.5517792 -1.7692435 ] [ 0.012345 -2.6076084 0.0056074 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.090017951703495e-10 -2.785295935546656e-10 -4.176983398435814e-09 ] [ 6.059979924269915e-10 7.49792543055481e-10 2.268325770972334e-09 ] [ -5.057320171030445e-10 1.031345924546583e-09 5.777045146096358e-10 ] [ -2.26579817713536e-12 -9.797829141417138e-10 1.347259265412036e-09 ] [ -1.393077991978351e-09 3.56976967438896e-10 1.859532809440145e-09 ] [ 8.694277122012653e-10 8.118219324533876e-10 9.498175650205535e-10 ] [ -5.031305629238516e-10 2.486224354883727e-09 -2.834640572202365e-09 ] [ 1.9778870383776e-11 -4.177849214681695e-09 8.984045183473922e-12 ] ] } "unrelaxed-potential-energy" { "source-value" -21.746771 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.484216807409144e-18 } }