{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.8086281 0.0846799 -1.1986018999999999 ] [ -0.4293959 -1.3341081 0.4237214999999999 ] [ 0.4518568 0.273266 1.8878152999999998 ] [ -3.2599255 -2.5283711 3.2418991999999998 ] [ 1.644702 3.4090328 -0.9748358999999999 ] [ -1.7430241 0.9950138 -1.9938079999999998 ] [ -0.7424775 -0.5075481 -2.9465381999999996 ] [ -0.7303639 -0.3919652 1.5603479999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.704271519941925e-09 1.356721560316819e-10 -1.920371941826459e-09 ] [ -6.879680720473746e-10 -2.137476807439908e-09 6.78876681030307e-10 ] [ 7.239544009095014e-10 4.378203964595328e-10 3.024613538048538e-09 ] [ -5.22297642164975e-09 -4.050897065126379e-09 5.194095105230223e-09 ] [ 2.635103092583002e-09 5.461872651700362e-09 -1.561859288096526e-09 ] [ -2.792632462510961e-09 1.594187847733367e-09 -3.194432563964006e-09 ] [ -1.189580091970032e-09 -8.131816997514604e-10 -4.720874616334114e-09 ] [ -1.170171965256309e-09 -6.279974796071962e-10 2.499953085912038e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.467414 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.682506151103461e-18 } }