{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.42631e-10 0.0 0.0 ] "source-value" [ 5.42631 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] "source-value" [ -0.0419811 5.40206 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] "source-value" [ -0.291495 -0.184222 5.7849 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.06728822559517e-08 -7.883150053559706e-09 -1.307880471751262e-08 ] [ 8.578470193684608e-10 6.561593065716205e-09 1.587256591345293e-08 ] [ -9.928094592224269e-09 -2.196720540412529e-08 -2.024993113858727e-08 ] [ -3.605309156191545e-10 3.70430011936066e-09 3.342791635676324e-08 ] [ 1.025291363183644e-08 2.398063304582911e-09 -1.594304037581908e-08 ] [ 9.932415181917581e-09 1.100588953961979e-09 9.84534697628981e-09 ] [ 7.659581847240288e-10 8.009096516850146e-09 -9.564377427959328e-09 ] [ -8.476264142690534e-10 8.076713497213093e-09 -3.096755866276934e-10 ] ] "source-value" [ [ -6.6614892 -4.9202753 -8.1631479 ] [ 0.535426 4.0954243 9.9068765 ] [ -6.1966293 -13.7108513 -12.639013 ] [ -0.2250257 2.3120423 20.8640645 ] [ 6.3993654 1.4967534 -9.9508632 ] [ 6.199326 0.6869336 6.1449823 ] [ 0.4780735 4.9988849 -5.9696149 ] [ -0.5290468 5.0410881 -0.1932843 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.66479797412185e-18 "source-value" -22.87387 } }