{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.0634745 10.4408638 -4.9714906 ] [ 1.1073003 -0.7105407 -0.4190219 ] [ 39.1707263 33.4673493 -15.8946192 ] [ -1.7664923 -0.2567245 -1.5369588 ] [ -2.0832905 -2.3994418 -2.6316244 ] [ -33.6007299 -34.576247 14.6384305 ] [ -2.3282932 3.5537674 4.9880603 ] [ -7.5626952 -9.5190264 5.8272241 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.131693370551697e-08 1.672810788131705e-08 -7.965206009846965e-09 ] [ 1.774090652864826e-09 -1.138411697666866e-09 -6.713470917831955e-10 ] [ 6.275842189761568e-08 5.362060460860725e-08 -2.54659872787588e-08 ] [ -2.83023266388322e-09 -4.113179918865697e-10 -2.462479456492823e-09 ] [ -3.337799333434742e-09 -3.844329554930269e-09 -4.216327088406828e-09 ] [ -5.383430388759552e-08 -5.539725457840614e-08 2.345335111230565e-08 ] [ -3.730336931407619e-09 5.693763044041202e-09 7.991753595800635e-09 ] [ -1.211677343967638e-08 -1.525116155085799e-08 9.336242217182321e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.134002 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.104299094194044e-18 } }