{ "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" [ [ 6.932372624525631e-09 -1.075807591493313e-08 2.595275064619521e-09 ] [ 1.502369028207264e-10 4.311645862761068e-09 9.525818484097184e-09 ] [ 6.657544539618e-09 4.302610067272743e-10 -3.645903024579769e-09 ] [ -4.096117538942486e-09 -4.959299005369901e-10 -2.348448701166597e-09 ] [ 2.504970942870722e-09 2.835926318940557e-09 -8.18209650422855e-10 ] [ -1.481217316764189e-08 7.047526185227713e-09 -1.269461862539332e-08 ] [ 8.772028029719823e-09 1.990245908395127e-09 2.648165638572384e-09 ] [ -6.108862493188185e-09 -5.361599626799284e-09 4.737920974491116e-09 ] ] "source-value" [ [ 4.3268467 -6.7146629 1.6198433 ] [ 0.0937705 2.6911177 5.9455483 ] [ 4.1553125 0.2685478 -2.2755937 ] [ -2.5565955 -0.3095351 -1.4657864 ] [ 1.5634799 1.770046 -0.5106863 ] [ -9.2450314 4.3987199 -7.9233578 ] [ 5.4750693 1.2422138 1.652855 ] [ -3.8128521 -3.3464473 2.9571777 ] ] } "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" -4.955627617643338e-18 "source-value" -30.930595 } }