{ "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" [ 5.43808 0 0 ] "si-unit" "m" "si-value" [ 5.438080000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.036104 5.43472 0 ] "si-unit" "m" "si-value" [ -3.6104e-12 5.434720000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0778792 -0.0548884 5.50823 ] "si-unit" "m" "si-value" [ 7.78792e-12 -5.48884e-12 5.50823e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0442028 -0.0162787 0.186746 ] [ 1.46625 1.46109 1.35616 ] [ 0.0256733 2.72542 2.65757 ] [ 1.37985 4.00669 4.1027 ] [ 2.74744 0.0130417 2.60748 ] [ 4.13581 1.33996 3.97093 ] [ 2.70334 2.70384 0.0742117 ] [ 4.06803 4.03744 1.33105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.42028e-12 -1.62787e-12 1.86746e-11 ] [ 1.46625e-10 1.46109e-10 1.35616e-10 ] [ 2.56733e-12 2.72542e-10 2.65757e-10 ] [ 1.37985e-10 4.00669e-10 4.1027e-10 ] [ 2.74744e-10 1.30417e-12 2.60748e-10 ] [ 4.13581e-10 1.33996e-10 3.97093e-10 ] [ 2.70334e-10 2.70384e-10 7.42117e-12 ] [ 4.068030000000001e-10 4.03744e-10 1.33105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0294671 2.4309166 -3.8509194 ] [ -1.7406447 -1.8951952 -0.3284083 ] [ -0.0124735 0.5510661 2.0359424 ] [ 0.3447815 1.7216713 1.163398 ] [ -1.2194078 -1.2464645 2.8892224 ] [ 1.0211109 -1.6362494 2.6783609 ] [ 0.9660724 0.5999692 -4.9548457 ] [ -0.388906 -0.5257141 0.3672498 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.649388133091741e-09 3.894757775722725e-09 -6.169853082097299e-09 ] [ -2.788820266435939e-09 -3.036437466308957e-09 -5.261681046716621e-10 ] [ -1.9984750244199e-11 8.829052292095073e-10 3.261939341449882e-09 ] [ 5.524008631354709e-10 2.758421528288404e-09 1.863969091642332e-09 ] [ -1.953706684477345e-09 -1.997056297010493e-09 4.629044619709401e-09 ] [ 1.636000024702711e-09 -2.621560556076519e-09 4.29120725139921e-09 ] [ 1.547818626032301e-09 9.612566333596726e-10 -7.938538005615373e-09 ] [ -6.230961060224039e-10 -8.422868471843393e-10 5.883990484011732e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -325.94096 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.222149901755286e-17 } }