{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1369115 6.7218182 -3.3926646 ] [ 3.1805517 -1.1053358 -1.092502 ] [ 15.4671501 13.837924 -8.4970493 ] [ -1.2076173 -0.8353111 -1.7940752 ] [ -3.1899588 -3.2142467 -5.0175903 ] [ -8.052857 -13.6442212 6.0110161 ] [ -4.9085331 3.1833005 7.4914884 ] [ -4.4256471 -4.9439278 6.291377 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.02588626681866e-09 1.076953996930794e-08 -5.435647904335784e-09 ] [ 5.095805574985696e-09 -1.770943176893265e-09 -1.750381162577242e-09 ] [ 2.478110628062438e-08 2.217079831320722e-08 -1.361377373424501e-08 ] [ -1.93481620493362e-09 -1.338315915514731e-09 -2.874425341397084e-09 ] [ -5.110877410675223e-09 -5.149790916223551e-09 -8.03906587141286e-09 ] [ -1.290209921604562e-08 -2.186045221566372e-08 9.630709462672395e-09 ] [ -7.864336975242948e-09 5.10020963808095e-09 1.20026875694744e-08 ] [ -7.09066831553132e-09 -7.921045536083178e-09 1.007989714203884e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -21.785382 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.490402971559714e-18 } }