{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1847511 1.9415889 2.1184854 ] [ -0.8059255 0.7813474 -0.6355285 ] [ 0.2584831 -0.5219461 -1.0428574 ] [ 1.8984453 -1.0391339 -1.563261 ] [ -0.2640159 0.7506202 0.9360519 ] [ 0.680722 -1.718876 -1.0625123 ] [ -0.5511448 1.207664 2.8927533 ] [ -0.0318131 -1.4012644 -1.6431314 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.898180513887083e-09 3.110768342784789e-09 3.394187779386137e-09 ] [ -1.29123499420655e-09 1.251856537002866e-09 -1.018228904552093e-09 ] [ 4.141355796919086e-10 -8.362498387377388e-10 -1.670841745108274e-09 ] [ 3.041644675527642e-09 -1.664876040460725e-09 -2.504620226408429e-09 ] [ -4.230001024994707e-10 1.20262613554022e-09 1.49972047003542e-09 ] [ 1.090636873664218e-09 -2.753942941254221e-09 -1.702332366372436e-09 ] [ -8.830313132354919e-10 1.934891026581811e-09 4.634701707002048e-09 ] [ -5.097020505517248e-11 -2.24507306123934e-09 -2.632586713982373e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.999114038775918 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.723558308723984e-18 } }