{ "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" [ [ -3.42195 5.3049522 5.9292019 ] [ -1.9761098 1.3708731 -1.6668641 ] [ 0.0451287 -0.5082286 -1.2248458 ] [ 4.8755432 -3.2586391 -6.1651094 ] [ -0.6033534 2.4310416 3.0407174 ] [ 2.3638194 -4.8480993 -4.8199124 ] [ -1.7095751 3.2219917 8.4914166 ] [ 0.426497 -3.7138917 -3.5846041 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.48256828754656e-09 8.499470389301525e-09 9.49962866418294e-09 ] [ -3.166076921693764e-09 2.196380830903621e-09 -2.670610691070833e-09 ] [ 7.230414806709696e-11 -8.14271980941915e-10 -1.962419304845073e-09 ] [ 7.81148132874042e-09 -5.220915381644753e-09 -9.877594145354315e-09 ] [ -9.66678711560191e-10 3.894958015712225e-09 4.871766328739762e-09 ] [ 3.787256178473484e-09 -7.767511353776847e-09 -7.722350961584017e-09 ] [ -2.739041256721822e-09 5.162199774151647e-09 1.360474915399303e-08 ] [ 6.833235222413377e-10 -5.950310453923168e-09 -5.743168883843826e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.528148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.532019148512228e-18 } }