{ "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" [ [ -5.879563 -2.3060639 -3.8238523 ] [ 0.8665228 0.3521959 6.5949995 ] [ -3.8317538 -7.0544168 -7.3463401 ] [ 0.5975806 -0.2685305 13.0408386 ] [ 3.0262532 2.0192841 -8.2091244 ] [ 4.1808113 -3.7343216 9.1311235 ] [ 0.0566142 3.5202081 -4.0003692 ] [ 0.9835347 7.4716446 -5.3872757 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.420098456730942e-09 -3.694721697090912e-09 -6.126486806927158e-09 ] [ 1.388322582988255e-09 5.642800415706005e-10 1.056635410014168e-08 ] [ -6.139146405600709e-09 -1.130242176345705e-08 -1.177013445363722e-08 ] [ 9.574296742517003e-10 -4.30233292616337e-10 2.089372689268527e-08 ] [ 4.848592165607728e-09 3.23524980242772e-09 -1.315246729927927e-08 ] [ 6.698398176023164e-09 -5.983042811361494e-09 1.46296727138683e-08 ] [ 9.07059483926028e-11 5.639995164637535e-09 -6.409298059613272e-09 ] [ 1.575796315068199e-09 1.197089439567227e-08 -8.631367247455993e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.338152 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.899401844914037e-18 } }