{ "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" [ [ -0.9966272 1.7036623 1.9360124 ] [ -1.1506051 0.7190359 -0.5586618 ] [ 0.0902812 -0.2688234 -0.6406509 ] [ 1.9411786 -1.0398562 -1.8895391 ] [ -0.149994 1.1028396 0.6888433 ] [ 0.459888 -1.6046148 -1.6123036 ] [ -0.1880639 0.9635783 3.5531473 ] [ -0.0060576 -1.5758216 -1.4768477 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.596772799493366e-09 2.729567906798356e-09 3.101833804858898e-09 ] [ -1.843472590993246e-09 1.152022508495887e-09 -8.950748748940455e-10 ] [ 1.44646427937769e-10 -4.307025666039667e-10 -1.026435894074479e-09 ] [ 3.110110969717275e-09 -1.666033292633929e-09 -3.027375370107473e-09 ] [ -2.403168800602752e-10 1.766943823612424e-09 1.103648630654721e-09 ] [ 7.368218017864704e-10 -2.570876317949668e-09 -2.583195133551675e-09 ] [ -3.013115837964692e-10 1.543822624570209e-09 5.692769534318644e-09 ] [ -9.70534509815808e-12 -2.524744526071649e-09 -2.366170857422252e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.267733 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.368772431481665e-18 } }