{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46402e-10 0.0 0.0 ] "source-value" [ 5.46402 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] "source-value" [ 0.0122514 5.46447 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] "source-value" [ -0.0384841 0.0769758 5.42124 ] } "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" [ [ -2.81500349444953e-10 4.809979348664583e-10 -2.546291238138816e-10 ] [ 3.585352444202861e-10 1.36561908796277e-09 6.742898095826189e-10 ] [ 4.405037218640487e-10 -3.131886793041216e-10 9.41487047680704e-12 ] [ -6.566405523632102e-10 -4.451490727583961e-10 -1.208867254348884e-09 ] [ 3.109674216370445e-10 -2.180789889988954e-10 -6.671891230168954e-10 ] [ 6.158733284646163e-10 -4.796059638183072e-10 -1.046943915038381e-10 ] [ -2.752186955677824e-10 -5.777030726506771e-10 1.072596845566996e-09 ] [ -5.125201190100499e-10 1.871087547011693e-10 4.790783670570777e-10 ] ] "source-value" [ [ -0.1756987 0.3002153 -0.158927 ] [ 0.2237801 0.8523524 0.4208586 ] [ 0.2749408 -0.195477 0.0058763 ] [ -0.4098428 -0.2778402 -0.7545156 ] [ 0.1940906 -0.1361142 -0.4164267 ] [ 0.3843979 -0.2993465 -0.0653451 ] [ -0.171778 -0.3605739 0.6694623 ] [ -0.3198899 0.1167841 0.2990172 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.394752727031352e-17 "source-value" 149.46871 } }