{ "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" [ [ 1.7928994 0.8563713 -1.3674547 ] [ -0.6567543 -0.095426 -0.5222022 ] [ -0.9119793 -0.3452783 -1.4329633 ] [ -0.2283007 1.7987531 1.7773957 ] [ 0.7143627 -0.8802462 0.7204905 ] [ 0.4778146 -1.0957654 -0.796393 ] [ -0.782296 0.1534421 -0.3434093 ] [ -0.4057464 -0.3918506 1.9645363 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.872541502126348e-09 1.372058075584103e-09 -2.190903950343078e-09 ] [ -1.052236385069869e-09 -1.528893062164608e-10 -8.366601561703257e-10 ] [ -1.46115191311355e-09 -5.531968199295687e-10 -2.295860297724417e-09 ] [ -3.657780440522745e-10 2.881920163411525e-09 2.84770183645045e-09 ] [ 1.144535216711564e-09 -1.410309882188041e-09 1.154353034608502e-09 ] [ 7.655433811969037e-10 -1.75560970576156e-09 -1.275962245568775e-09 ] [ -1.253376361745357e-09 2.458413452664557e-10 -5.502023518252934e-10 ] [ -6.500773960537651e-10 -6.278138701664525e-10 3.147534130572935e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.497441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.924922723962737e-18 } }