{ "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" [ [ 1.1564379 -0.7780536 -3.8717293 ] [ 0.2186096 0.5363011 1.7588164 ] [ -0.6116895 0.8924799 0.2996846 ] [ -0.0208015 -0.7355556 2.3310747 ] [ -1.1203498 0.159838 1.305239 ] [ 0.7789456 0.7352666 0.8042021 ] [ -0.4495239 2.6846788 -2.6475228 ] [ 0.0483717 -3.4949552 0.0202352 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.852817782052029e-09 -1.246579297919582e-09 -6.203194217633176e-09 ] [ 3.502511930880864e-10 8.592490912084973e-10 2.817934539575998e-09 ] [ -9.800346241631428e-10 1.429910442094656e-09 4.801476636896364e-10 ] [ -3.3327677252151e-11 -1.17848999532785e-09 3.734793416448559e-09 ] [ -1.794998271466573e-09 2.560887088252919e-10 2.091223427585526e-09 ] [ 1.24800843947711e-09 1.178026966280624e-09 1.288473813633731e-09 ] [ -7.202166890045525e-10 4.301329643155159e-09 -4.241799168142255e-09 ] [ 7.750000748685779e-11 -5.599535558316796e-09 3.24203646243168e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -35.65277 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.712203503137617e-18 } }