{ "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" [ [ 1.3665671 1.4947929 -2.5971152 ] [ -1.960156 -1.7892048 0.8312794 ] [ 0.1465245 0.2684712 0.4410272 ] [ 0.1559146 0.7126235 0.6584855 ] [ -0.1227347 -0.6860529 1.1461527 ] [ -0.0465795 -0.5116524 1.6063658 ] [ 1.0770199 0.997665 -3.2727193 ] [ -0.6165558 -0.4866425 1.1865239 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.189481876413141e-09 2.394922257049098e-09 -4.161037289246236e-09 ] [ -3.140516142194903e-09 -2.866622124000643e-09 1.331856431005539e-09 ] [ 2.34758130208533e-10 4.301382835419408e-10 7.066034747984447e-10 ] [ 2.498027290194563e-10 1.141748720539299e-09 1.055010081927807e-09 ] [ -1.966426685209998e-10 -1.099177926067938e-09 1.836339074936012e-09 ] [ -7.462858652340301e-11 -8.197575200100216e-10 2.573681750416717e-09 ] [ 1.725576118133016e-09 1.59843555155961e-09 -5.243474392100835e-09 ] [ -9.878312963171771e-10 -7.796872426113449e-10 1.901020868262553e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.068014 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.778732926558487e-18 } }