{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2888534 1.9659109 2.078212 ] [ -1.0078016 0.8230147 -0.4315013 ] [ 0.2624924 -0.5555088 -1.0072904 ] [ 2.0717074 -1.0790266 -1.7743426 ] [ -0.1903802 0.7719287 0.8236107 ] [ 0.6653171 -1.6979852 -1.2750809 ] [ -0.485679 1.1327375 2.9580395 ] [ -0.0268027 -1.3610712 -1.3716469 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.064970785118591e-09 3.149736482555886e-09 3.32966267946601e-09 ] [ -1.614676161924833e-09 1.318614910914726e-09 -6.91341294704807e-10 ] [ 4.20559186417682e-10 -8.900232120086632e-10 -1.61385712923628e-09 ] [ 3.319241161418355e-09 -1.728791191741313e-09 -2.842810231009486e-09 ] [ -3.050227055032282e-10 1.236766116064537e-09 1.319569808180723e-09 ] [ 1.065955503038456e-09 -2.720472189904412e-09 -2.042904807608623e-09 ] [ -7.781435390135232e-10 1.81484554000344e-09 4.739301730302922e-09 ] [ -4.294265931431616e-11 -2.180676455884201e-09 -2.197620595172796e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.015808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.770368555682161e-18 } }