{ "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" [ [ 1.6360913 1.6508814 -3.7911634 ] [ -2.424716 -2.3152662 0.9652105 ] [ 0.2529668 0.1770364 0.7086046 ] [ 0.0553009 0.9042798 0.7304994 ] [ 0.1098636 -0.6832301 1.5975599 ] [ -0.1168594 -0.6229999 2.1302412 ] [ 1.1724728 1.1467771 -3.8077401 ] [ -0.68512 -0.2574785 1.466788 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.621307251950684e-09 2.645003604585207e-09 -6.074113415155995e-09 ] [ -3.884823319285944e-09 -3.70946540712997e-09 1.546437709991457e-09 ] [ 4.052974961377512e-10 2.836435834474776e-10 1.135309732864916e-09 ] [ 8.860180981917058e-11 1.448815966158193e-09 1.170389069831019e-09 ] [ 1.760208928471224e-10 -1.094655301865483e-09 2.559573143195376e-09 ] [ -1.872294001432596e-10 -9.981558827643365e-10 3.41302267542412e-09 ] [ 1.878508524160555e-09 1.837339474026281e-09 -6.100672216564823e-09 ] [ -1.09768325548608e-09 -4.125260364573689e-10 2.350053460631592e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.729779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.724541705178388e-18 } }