{ "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" [ [ 1.3639541 0.1774186 1.5467545 ] [ -0.1148446 -0.6069472 -0.106966 ] [ 1.2160499 1.1643505 0.4180643 ] [ -1.5121971 0.6740144 -3.1521481 ] [ 0.1718052 -0.053988 -0.3366211 ] [ -2.2322225 0.8802613 -0.4787603 ] [ 2.8163487 -1.9266726 1.6219439 ] [ -1.7088938 -0.3084369 0.4877328 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.185295388868499e-09 2.842559353569924e-10 2.478173918434353e-09 ] [ -1.840013346610764e-10 -9.724366219117247e-10 -1.71378425832444e-10 ] [ 1.948326735558036e-09 1.865495164886217e-09 6.698128529695662e-10 ] [ -2.422806859622562e-09 1.07989012265953e-09 -5.050298032727494e-09 ] [ 2.752622770396967e-10 -8.6498312116392e-11 -5.393264609313773e-10 ] [ -3.576414731389065e-09 1.410334086674464e-09 -7.670585659468302e-10 ] [ 4.512288080336275e-09 -3.086869821088028e-09 2.598640618238832e-09 ] [ -2.737949716347469e-09 -4.941703942433946e-10 7.814340957953951e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.811859074190156 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.135515748876834e-18 } }