{ "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" [ [ 1.1623681 1.2175734 -2.5137251 ] [ -1.6369556 -1.5280609 0.5026417 ] [ 0.163343 0.0937526 0.4801324 ] [ 0.1189235 0.6540581 0.5800768 ] [ -0.0588404 -0.5144787 1.090081 ] [ -0.0832699 -0.3927629 1.6830231 ] [ 0.7766312 0.7021909 -2.642093 ] [ -0.4421999 -0.2322725 0.8198631 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.862318994583716e-09 1.950767635587967e-09 -4.027431586338142e-09 ] [ -2.622691991607636e-09 -2.448223449138607e-09 8.053207803791673e-10 ] [ 2.617043357713344e-10 1.502082238592141e-10 7.69256906168594e-10 ] [ 1.905364513637088e-10 1.047916596464868e-09 9.293854872284773e-10 ] [ -9.427271323852032e-11 -8.242857450395769e-10 1.746502292978285e-09 ] [ -1.334130869963539e-10 -6.292755358976084e-10 2.696500263086341e-09 ] [ 1.244300351623849e-09 1.125033843318511e-09 -4.233099634579335e-09 ] [ -7.084823415000979e-10 -3.72141569154768e-10 1.313565491076613e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.17823524065424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.752256688917888e-18 } }