{ "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" [ [ -5.1564129 4.6949492 5.3954107 ] [ 1.0248523 -1.8958254 -1.1824754 ] [ -3.2068328 0.9632041 -0.6706888 ] [ 5.3711231 -4.5743727 -2.4954003 ] [ -3.0855712 2.5917179 -2.8370453 ] [ 5.8006387 -2.953511 -1.694139 ] [ -7.2153864 0.04877 2.1433104 ] [ 6.4675891 1.1250681 1.3410276 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.261484195571529e-09 7.522137844083663e-09 8.644400883154162e-09 ] [ 1.641994394833108e-09 -3.037447132998808e-09 -1.894534440551129e-09 ] [ -5.137912538974603e-09 1.543223090078705e-09 -1.074561915192407e-09 ] [ 8.605487858258822e-09 -7.328952994765772e-09 -3.998072020197306e-09 ] [ -4.943630038453801e-09 4.152389827088872e-09 -4.545447651810522e-09 ] [ 9.293647710847707e-09 -4.732046273475629e-09 -2.714309898185492e-09 ] [ -1.156032340011828e-08 7.8138153796416e-11 3.433961813997496e-09 ] [ 1.036222004896091e-08 1.802557806627876e-09 2.148563068567534e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.109329 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.061652016297544e-18 } }