{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39143e-10 0.0 0.0 ] "source-value" [ 5.39143 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] "source-value" [ 0.144963 5.17841 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] "source-value" [ -0.144779 0.421312 5.38784 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 6.731313878204818e-09 -7.695327048520986e-09 1.949016456541432e-09 ] [ -2.691131849883026e-09 4.490319317771387e-09 8.231488565312234e-09 ] [ 7.021789781297156e-09 5.479437634429517e-10 -3.592690893779111e-09 ] [ -4.065345974545739e-09 -6.361456692475988e-10 -3.014333492196499e-09 ] [ 3.643464671980574e-09 1.511550942203407e-09 6.173474911734144e-11 ] [ -1.162979666231408e-08 6.856894404355067e-09 -1.188827229175918e-08 ] [ 7.773601547547832e-09 1.960131877283557e-09 3.3333331058866e-09 ] [ -6.783895232069868e-09 -7.035367587287786e-09 4.919723961094845e-09 ] ] "source-value" [ [ 4.2013557 -4.8030454 1.2164804 ] [ -1.6796724 2.8026369 5.1376911 ] [ 4.3826565 0.3419996 -2.2423813 ] [ -2.5373894 -0.3970509 -1.881399 ] [ 2.2740718 0.9434359 0.0385318 ] [ -7.2587482 4.2797369 -7.420076 ] [ 4.8519005 1.2234181 2.0805029 ] [ -4.2341744 -4.3911311 3.0706502 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.620152341108564e-18 "source-value" -28.836723 } }