{ "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" [ 5.47211 0 0 ] "si-unit" "m" "si-value" [ 5.47211e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.102197 5.35978 0 ] "si-unit" "m" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0185088 0.0167086 5.27242 ] "si-unit" "m" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9780823 -0.6186232 -0.8547979 ] [ 1.565631 0.8063431 1.0104559 ] [ -0.8383933 1.2938247 -1.1984423 ] [ -0.3827728 0.1250186 0.4551913 ] [ -0.7655769 -0.6939887 -2.1743701 ] [ 1.4741622 -0.3212367 -0.7499087 ] [ -0.7046028 0.3138964 2.5467231 ] [ 0.6296349 -0.9052342 0.9651487 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.567060594278292e-09 -9.911436281244827e-10 -1.369537210888936e-09 ] [ 2.508417384999725e-09 1.291904063163396e-09 1.618928819329422e-09 ] [ -1.343254144295361e-09 2.072935685753574e-09 -1.92011623443778e-09 ] [ -6.132696312381542e-10 2.003018780851469e-10 7.292968588515591e-10 ] [ -1.226589410604539e-09 -1.111892470239385e-09 -3.483724939186558e-09 ] [ 2.361868212107094e-09 -5.146779304829433e-10 -1.201486186874521e-09 ] [ -1.128898133110218e-09 5.029174734332852e-10 4.080300210471301e-09 ] [ 1.008786316419746e-09 -1.450345071588591e-09 1.546338682735513e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.96635 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.160267889751008e-18 } }