{ "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" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7682328000000003 0.30271770000000003 -1.2430047000000002 ] [ 1.0567688000000002 -0.4895268000000001 -0.8816624000000002 ] [ -0.37384270000000003 0.06637220000000002 1.4792198000000003 ] [ -0.21204990000000007 0.7543560000000002 0.0029150000000000005 ] [ -2.4916583000000005 -3.771710600000001 -3.085905900000001 ] [ 2.7868352000000005 3.435509400000001 2.9814081000000003 ] [ 0.4554001000000001 -0.35724630000000007 0.16265770000000002 ] [ -1.9896861000000003 0.05952850000000001 0.5843723000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.230844631491723e-09 4.850072216423483e-10 -1.991513069884518e-09 ] [ 1.693130264950871e-09 -7.843083942150376e-10 -1.412578884718418e-09 ] [ -5.989620337967482e-10 1.063399871110618e-10 2.369971380584452e-09 ] [ -3.39741392222978e-10 1.208611546960205e-09 4.670344849632e-12 ] [ -3.992076675282274e-09 -6.042946543743542e-09 -4.944166286968785e-09 ] [ 4.465002203462492e-09 5.504292841218636e-09 4.776742354883749e-09 ] [ 7.296313933299823e-10 -5.723716697273031e-10 2.606063641331002e-10 ] [ -3.187828552150732e-09 9.537517097129281e-11 9.36267636903124e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.677488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.716163716247255e-18 } }