{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3027423 0.3233884 -0.19886389999999995 ] [ -0.555129 0.4175016 -1.2118985999999998 ] [ -0.8823403 0.0710153 -0.36259589999999997 ] [ 1.017408 0.2234312 0.36531659999999994 ] [ -0.4183944 -1.5463997 0.38597589999999987 ] [ 0.7374395 0.7762071 1.7117008999999996 ] [ -0.7405845 -1.680773 -2.2625391999999995 ] [ 2.144343 1.4156291 1.5729042999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.08722325598722e-09 5.181253339179188e-10 -3.186150913011091e-10 ] [ -8.894147053280832e-10 6.689113026665932e-10 -1.941675603700251e-09 ] [ -1.413665000249658e-09 1.137790533790982e-10 -5.809426737779347e-10 ] [ 1.630067311414887e-09 3.57976244997289e-10 5.853017157101452e-10 ] [ -6.703417259536435e-10 -2.477605445752134e-09 6.184015631722386e-10 ] [ 1.181508326154442e-09 1.243620868518968e-09 2.742447163782318e-09 ] [ -1.186547171626857e-09 -2.692895205471879e-09 -3.624987409883535e-09 ] [ 3.435616221576135e-09 2.268087847744145e-09 2.520070496215789e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.99154 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.683650786418803e-18 } }