{ "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" [ [ 12.5294531 13.5065175 -13.7847874 ] [ -17.7653635 -15.3081538 12.1609485 ] [ 0.7954269 2.1767642 -2.7325172 ] [ 1.8704394 2.2304581 2.7581227 ] [ -0.0849125 -4.2308122 2.0043428 ] [ -1.2558929 -1.2314968 7.6945911 ] [ 12.894572 12.3690568 -21.2344306 ] [ -8.9837227 -9.5123339 13.1337301 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.007439699361886e-08 2.163982674521209e-08 -2.208566427693761e-08 ] [ -2.846325029421646e-08 -2.452636632803831e-08 1.948398753397735e-08 ] [ 1.274414393235055e-09 3.487560738967702e-09 -4.377975209843104e-09 ] [ 2.996774301992979e-09 3.573587850936035e-09 4.418999743644991e-09 ] [ -1.36044823434525e-10 -6.778508449682134e-09 3.211311200686134e-09 ] [ -2.012162259186498e-09 -1.973075397805771e-09 1.232809406860436e-08 ] [ 2.065938196383064e-08 1.981741378957881e-08 -3.40213085436146e-08 ] [ -1.439351059627539e-08 -1.524043910938609e-08 2.104255548348248e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -32.037222 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.132928850667074e-18 } }