{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.451889999999999e-10 0.0 0.0 ] "source-value" [ 5.45189 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03872e-11 5.482540000000001e-10 0.0 ] "source-value" [ 0.103872 5.48254 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.33572e-12 8.481030000000001e-12 5.46172e-10 ] "source-value" [ -0.0133572 0.0848103 5.46172 ] } "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" [ [ -5.092907718131654e-09 -6.389296754309656e-09 -7.081968336262714e-09 ] [ 5.755144352995994e-09 7.014375548766741e-09 2.537055010355228e-09 ] [ -9.71223445762752e-10 1.388793931911994e-10 -8.904939314998541e-10 ] [ 2.925129745350866e-09 1.534181847189869e-10 4.286258412898519e-09 ] [ -7.19928131061431e-10 -2.400721796249804e-09 -4.433046630542975e-09 ] [ -5.339884846404595e-10 1.392033533039251e-09 6.393460170476467e-10 ] [ -1.708912986407047e-09 8.588019166344576e-11 4.897528687931578e-10 ] [ 3.466866676564838e-10 5.431699179836159e-12 4.453096428993328e-09 ] ] "source-value" [ [ -3.178743 -3.9878854 -4.420217 ] [ 3.5920786 4.3780289 1.5835052 ] [ -0.60619 0.0866817 -0.5558026 ] [ 1.8257224 0.0957561 2.6752721 ] [ -0.4493438 -1.4984127 -2.7668901 ] [ -0.3332894 0.868839 0.3990484 ] [ -1.0666196 0.0536022 0.3056797 ] [ 0.2163848 0.0033902 2.7794042 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 5.15087e-12 1.39447e-11 1.29479e-11 ] [ 1.28089e-10 1.29793e-10 1.3896e-10 ] [ -2.67641e-12 2.78569e-10 2.67144e-10 ] [ 1.28772e-10 4.21003e-10 3.97686e-10 ] [ 2.71226e-10 9.304150000000001e-12 2.84614e-10 ] [ 4.11731e-10 1.46571e-10 4.11351e-10 ] [ 2.72029e-10 2.73709e-10 -7.336620000000001e-12 ] [ 4.089240000000001e-10 4.18171e-10 1.22387e-10 ] ] "source-value" [ [ 0.0515087 0.139447 0.129479 ] [ 1.28089 1.29793 1.3896 ] [ -0.0267641 2.78569 2.67144 ] [ 1.28772 4.21003 3.97686 ] [ 2.71226 0.0930415 2.84614 ] [ 4.11731 1.46571 4.11351 ] [ 2.72029 2.73709 -0.0733662 ] [ 4.08924 4.18171 1.22387 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.668760276785308e-18 "source-value" -35.381619 } }