{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1332979 -1.8883825 -2.398176 ] [ 1.2559139 -0.1949707 5.2928824 ] [ -2.8028001 -6.3748728 -5.2513712 ] [ 0.599684 0.6758608 9.4710615 ] [ 2.8038283 2.6327174 -6.8401024 ] [ 0.6401359 2.2607284 5.2532545 ] [ 1.4923267 0.8615757 -4.5376021 ] [ -1.8557909 2.0273437 -0.9899466 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.417920020581736e-09 -3.025522292627856e-09 -3.842301519763661e-09 ] [ 2.012195888317749e-09 -3.123774972810105e-10 8.480132437923794e-09 ] [ -4.490580792995902e-09 -1.021367216073383e-08 -8.413624163782442e-09 ] [ 9.607996846678272e-10 1.082848372675185e-09 1.517431330945898e-08 ] [ 4.492228150997409e-09 4.218078267453362e-09 -1.095905214915797e-08 ] [ 1.025610773114767e-09 3.622086188458591e-09 8.416641543012393e-09 ] [ 2.390970949335615e-09 1.380396443589395e-09 -7.270039999112984e-09 ] [ -2.97330479307339e-09 3.248162678466169e-09 -1.586069298360449e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.99007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.285591887255546e-18 } }