{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.838921 0.6652464 -1.426136 ] [ -0.6592594 -0.1806554 -0.4742097 ] [ -0.7971769 -0.2865402 -1.3796671 ] [ -0.4324575 1.8736699 1.8280935 ] [ 0.6469777 -0.8436983 0.6821695 ] [ 0.4869845 -1.1096129 -0.6969647 ] [ -0.7376166 0.1484922 -0.3883154 ] [ -0.3463729 -0.2669017 1.8550299 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.946276233698157e-09 1.065842229151365e-09 -2.284921757281229e-09 ] [ -1.056249997722636e-09 -2.894418583012723e-10 -7.597676946965818e-10 ] [ -1.277218191821819e-09 -4.590880093593562e-10 -2.210470372106936e-09 ] [ -6.92873295989616e-10 3.001950108876674e-09 2.928928666336445e-09 ] [ 1.036572545118956e-09 -1.351753691268705e-09 1.092956024322826e-09 ] [ 7.802351805919776e-10 -1.777795846518088e-09 -1.116660547862886e-09 ] [ -1.181792071633985e-09 2.379107312111578e-10 -6.221498553766004e-10 ] [ -5.549505624586963e-10 -4.276236637917754e-10 2.972085536664962e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.677614 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.473136634552677e-18 } }