{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4662893 0.3871796 0.1448363 ] [ 0.3340806 0.0387369 -1.0849569 ] [ 0.0111508 -0.0031607 -0.5209031 ] [ 0.8394488 -0.2325277 0.7088114 ] [ -0.708014 -0.1494138 -0.2096421 ] [ 0.0991341 -0.4691834 1.7400877 ] [ -0.1098363 0.6617158 0.7167416 ] [ 0.0003254 -0.2333466 -1.4949749 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.470778149891974e-10 6.203301031706957e-10 2.32053333703175e-10 ] [ 5.352561267828365e-10 6.206335554226753e-11 -1.738292579755643e-09 ] [ 1.786555106321664e-11 -5.06399964536256e-12 -8.345787685222444e-10 ] [ 1.344945241718615e-09 -3.725504446283962e-10 1.135641053636517e-09 ] [ -1.134363477999091e-09 -2.393872971848871e-10 -3.358836713554157e-10 ] [ 1.588303373440493e-10 -7.517146743474547e-10 2.787927831081644e-09 ] [ -1.75977151975175e-10 1.060185584373969e-09 1.148346634674785e-09 ] [ 5.213482724083201e-13 -3.738624670631693e-10 -2.395213833462818e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.491018 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.846505590879198e-18 } }