{ "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" [ [ 0.711738 1.6387991 -0.0707387 ] [ 1.5722765 0.1170158 -0.6926093 ] [ 4.344049 4.2460908 -2.0073378 ] [ -0.445553 -0.1392606 -0.4046848 ] [ -0.807735 -0.8680596 -0.8785454 ] [ -2.9391472 -3.9741773 0.638943 ] [ -1.0813713 0.2467046 1.4238206 ] [ -1.354257 -1.2671127 1.9911525 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.14032998373495e-09 2.625645604208081e-09 -1.13335891325785e-10 ] [ 2.519064649733251e-09 1.874799790242086e-10 -1.109682427808653e-09 ] [ 6.95993374740962e-09 6.802987409553969e-09 -3.216109693208106e-09 ] [ -7.138545999273024e-10 -2.231200775185805e-10 -6.483765253531239e-10 ] [ -1.294134132801888e-09 -1.390784796581e-09 -1.407584900191384e-09 ] [ -4.709032928929782e-09 -6.367333956974069e-09 1.023699536623814e-09 ] [ -1.732547815264103e-09 3.952643423638157e-10 2.281212077533429e-09 ] [ -2.169758903954746e-09 -2.030138343858764e-09 3.190177983947472e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 164.97326 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.643163002291599e-17 } }