{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5358863 0.142888 0.8318227 ] [ -0.4931602 0.7490938 -1.3752056 ] [ -0.6807894 -0.3514333 -0.455637 ] [ 0.6314665 -0.9581548 0.2470762 ] [ 1.0570788 -0.4380838 0.0237023 ] [ -1.1112563 0.7601644 0.197458 ] [ -0.964136 -0.8614321 -0.3992459 ] [ 1.0249102 0.9569577 0.9300292 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.585845012670151e-10 2.289318129928704e-10 1.332726882590732e-09 ] [ -7.901297427490522e-10 1.200180573146231e-09 -2.203322261113236e-09 ] [ -1.090744860368459e-09 -5.630582170305927e-10 -7.300109489714496e-10 ] [ 1.011720863118403e-09 -1.5351332196673e-09 3.958597111961049e-10 ] [ 1.693626939703319e-09 -7.018876223112231e-10 3.797527091918784e-11 ] [ -1.780428863576711e-09 1.21791762964446e-09 3.163625911899264e-10 ] [ -1.544716158471629e-09 -1.380166371026648e-09 -6.396624469302547e-10 ] [ 1.642087160859452e-09 1.53321525403454e-09 1.490071040901328e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 155.86372 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.497212082149174e-17 } }