{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1867019 0.1045392 1.5288292 ] [ -0.1178846 -0.4936194 -0.139242 ] [ 1.152392 1.2762572 0.4616129 ] [ -1.4882169 0.6579891 -2.9936613 ] [ 0.0254334 -0.0762102 -0.365644 ] [ -1.9601484 0.8786537 -0.370105 ] [ 2.7451011 -2.0084118 1.4392721 ] [ -1.5433786 -0.3391978 0.4389383 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.90130604003894e-09 1.674902621971354e-10 2.449454401436368e-09 ] [ -1.888719500723597e-10 -7.908654622533236e-10 -2.230902770334336e-10 ] [ 1.846335520396954e-09 2.04478944796767e-09 7.395853962396883e-10 ] [ -2.384386323859452e-09 1.054214752761233e-09 -4.796374145453735e-09 ] [ 4.074879886745472e-11 -1.221022007064922e-10 -5.858262683357952e-10 ] [ -3.140503939778527e-09 1.407758415919417e-09 -5.92973578241184e-10 ] [ 4.398136804152363e-09 -3.217830430898846e-09 2.30596810958972e-09 ] [ -2.472765109963035e-09 -5.434547849867942e-10 7.032566822336966e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.18312 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.79717489316009e-18 } }