{ "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" [ [ 1.5571475 0.1609514 2.040006 ] [ -0.2209899 -0.6256274 -0.2327859 ] [ 2.2863498 2.4352937 1.4012445 ] [ -2.5583985 0.0615856 -4.4290618 ] [ -0.0404738 -0.0573278 -0.4085988 ] [ -2.3288326 0.8918085 -0.5604465 ] [ 3.3512928 -2.4429485 1.7277859 ] [ -2.0460953 -0.4237355 0.4618567 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.494825340191515e-09 2.578725722895876e-10 3.268449946419804e-09 ] [ -3.540648541299965e-10 -1.002365601870171e-09 -3.729641297046606e-10 ] [ 3.663136226710573e-09 3.901770663067405e-09 2.245041196421013e-09 ] [ -4.099006297160648e-09 9.867100931087039e-11 -7.096139326501981e-09 ] [ -6.484617664918918e-11 -9.184926163862518e-11 -6.546474500404391e-10 ] [ -3.731201176217468e-09 1.428834740702589e-09 -8.979342869070809e-10 ] [ 5.369363017852435e-09 -3.914035004765349e-09 2.76821819753466e-09 ] [ -3.27820608059722e-09 -6.788991170963069e-10 7.399760129963477e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.927793 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.756267045578876e-18 } }