{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.922741 0.6925134 2.7016966 ] [ 0.1406102 0.0477616 -0.5965101 ] [ 0.4638647 -0.2263176 0.2299303 ] [ 2.963738 -2.5842084 -2.1879532 ] [ -2.5218373 1.4383437 2.8190619 ] [ -0.3159388 0.7020233 0.5465192 ] [ -0.4396248 0.4185375 -0.7758754 ] [ 2.6319291 -0.4886535 -2.7368693 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.682747298853613e-09 1.109528779070719e-09 4.328595129014849e-09 ] [ 2.252823750860122e-10 7.65225188920013e-11 -9.557145362910702e-10 ] [ 7.431931775544058e-10 -3.626007675955661e-10 3.683889510735303e-10 ] [ 4.748431733776551e-09 -4.140358281754975e-09 -3.505487464444546e-09 ] [ -4.040428763521396e-09 2.304480648814969e-09 4.516635068768028e-09 ] [ -5.061897589636071e-10 1.124765318516865e-09 8.756202850583193e-10 ] [ -7.043565764838758e-10 6.705709974280801e-10 -1.243089426533848e-09 ] [ 4.216815271623185e-09 -7.829092133720928e-10 -4.384948006645261e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.376651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.585134708400094e-18 } }