{ "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" [ [ 0.2172981 0.5174517 -0.8251623 ] [ -0.3787953 -0.4120933 -0.0796288 ] [ -0.010315 0.1077996 0.4325826 ] [ 0.0886223 0.3655232 0.2241738 ] [ -0.2550153 -0.2714256 0.6287115 ] [ 0.2180994 -0.3326389 0.5740121 ] [ 0.1971524 0.1334695 -1.0310703 ] [ -0.0770464 -0.1080862 0.0763813 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.481499355642605e-10 8.290490161332153e-10 -1.322055745425556e-09 ] [ -6.068969737289222e-10 -6.602462508483207e-10 -1.27579401702359e-10 ] [ -1.6526451843552e-11 1.727139988515917e-10 6.930737282848781e-10 ] [ 1.419885771415238e-10 5.856327254000025e-10 3.591660213558951e-10 ] [ -4.085795516062983e-10 -4.348717506066124e-10 1.007306866528099e-09 ] [ 3.494337596905075e-10 -5.329462687486292e-10 9.196687666763118e-10 ] [ 3.158729660146099e-10 2.138417124898656e-10 -1.651956729061243e-09 ] [ -1.234419407968051e-10 -1.73173182671113e-10 1.22376333126311e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 148.53418 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.379779905856989e-17 } }