{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.057926899999999996 -0.9619905999999999 2.8732051999999997 ] [ 3.1203114999999997 -3.8479981999999997 -6.636742099999999 ] [ -1.3758855999999997 1.1171978999999999 8.523701199999998 ] [ -2.3848252999999997 0.6071744999999998 -2.2110762999999998 ] [ -3.7793519999999994 -7.830621399999999 -6.644757899999999 ] [ 6.4236509999999996 8.434660599999999 4.958921599999999 ] [ 0.5647239999999999 -3.4142928999999995 1.3404796999999997 ] [ -2.6265505999999994 5.8958699999999995 -2.2037312999999994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.280912566005458e-11 -1.54127886144764e-09 4.603382236127296e-09 ] [ 4.99929017610149e-09 -6.165172803714058e-09 -1.063323311850409e-08 ] [ -2.20441175937707e-09 1.789948370933868e-09 1.365647489783776e-08 ] [ -3.820911371832039e-09 9.728007966606326e-10 -3.542534783851173e-09 ] [ -6.055189466061166e-09 -1.254603863678036e-08 -1.064607584596691e-08 ] [ 1.029182353717073e-08 1.351381612904042e-08 7.945068317357892e-09 ] [ 9.047875974590157e-10 -5.470300306012097e-09 2.147685253691329e-09 ] [ -4.208197999338679e-09 9.446225151101577e-09 -3.530766796474443e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.356751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.504558367235613e-18 } }