{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.4372041 4.4998383 -8.2858298 ] [ -2.0965096 1.1862957 1.4513827 ] [ -1.0677503 -1.7273403 -4.8070584 ] [ -6.636342 -6.1290113 13.3246904 ] [ 12.1018359 7.8587643 -8.2051978 ] [ -0.0087504 -5.0615931 -0.7688903 ] [ -1.6149466 3.4595673 -0.02545 ] [ -6.114741 -4.0865209 7.3163532 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.711361291537905e-09 7.209535721640417e-09 -1.327536278948794e-08 ] [ -3.35897866640276e-09 1.900655235895571e-09 2.32537142977358e-09 ] [ -1.710724567512186e-09 -2.767504244825658e-09 -7.701756583300254e-09 ] [ -1.063259200003311e-08 -9.819758613479016e-09 2.13485074382782e-08 ] [ 1.938927854773813e-08 1.259112842983768e-08 -1.31461760841996e-08 ] [ -1.401968630264832e-11 -8.109566128822596e-09 -1.231898062619898e-09 ] [ -2.587429686360449e-09 5.542837846144179e-09 -4.077539499936001e-11 ] [ -9.796895072447214e-09 -6.547328246390574e-09 1.172209004655527e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -33.38575 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.348986811787361e-18 } }