{ "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" [ 5.42356 0 0 ] "si-unit" "m" "si-value" [ 5.42356e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0141122 5.36968 0 ] "si-unit" "m" "si-value" [ 1.41122e-12 5.36968e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.125956 0.0899535 5.38067 ] "si-unit" "m" "si-value" [ -1.25956e-11 8.99535e-12 5.380670000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0132742 0.0797855 -0.0480858 ] [ 1.38077 1.28242 1.3281 ] [ 0.0139699 2.87381 2.72647 ] [ 1.34708 4.2887 4.09361 ] [ 2.73598 0.0766444 2.67003 ] [ 4.1072 1.37855 3.98819 ] [ 2.71459 2.70679 -0.0921964 ] [ 4.08895 4.12737 1.11939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.32742e-12 7.97855e-12 -4.80858e-12 ] [ 1.38077e-10 1.28242e-10 1.3281e-10 ] [ 1.39699e-12 2.873810000000001e-10 2.72647e-10 ] [ 1.34708e-10 4.2887e-10 4.09361e-10 ] [ 2.73598e-10 7.66444e-12 2.67003e-10 ] [ 4.1072e-10 1.37855e-10 3.98819e-10 ] [ 2.71459e-10 2.70679e-10 -9.21964e-12 ] [ 4.08895e-10 4.12737e-10 1.11939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5014665 -0.4443929 0.465109 ] [ -0.462184 2.0298962 0.0658436 ] [ 0.2531342 -0.6326813 -0.9917716 ] [ -0.3502272 -0.7222299 -0.795484 ] [ 0.5816979 -0.6018049 -0.3955911 ] [ -1.3493924 1.9765259 -0.6654096 ] [ 0.5119839 -0.8975077 0.2982976 ] [ -0.6864787 -0.7078052 2.019006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.405614543033761e-09 -7.119959206954986e-10 7.45186772063106e-10 ] [ -7.405004054086559e-10 3.252252261085391e-09 1.054930774184424e-10 ] [ 4.055657005062827e-10 -1.013667195628744e-09 -1.588993283784794e-09 ] [ -5.611258364312448e-10 -1.157139870156156e-09 -1.274505877520856e-09 ] [ 9.319827834268683e-10 -9.641977490067064e-10 -6.338068170383574e-10 ] [ -2.161964973377181e-09 3.16674361347582e-09 -1.066103713159286e-09 ] [ 8.202886415641927e-10 -1.437965865775082e-09 4.779254446982783e-10 ] [ -1.099860132878696e-09 -1.134028952863697e-09 3.234804237105804e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.050905 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.775991762555377e-18 } }