{ "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" [ 5.44335 0 0 ] "si-unit" "m" "si-value" [ 5.44335e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0871492 5.32556 0 ] "si-unit" "m" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0678412 -0.0738369 5.55618 ] "si-unit" "m" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0586252 0.00658789 -0.0562217 ] [ 1.37481 1.15024 1.36711 ] [ 0.0858543 2.81471 2.72056 ] [ 1.52563 4.03682 4.13778 ] [ 2.84739 -0.239071 2.58831 ] [ 4.11503 1.39706 3.91123 ] [ 2.74645 2.72703 -0.0478687 ] [ 4.08136 4.16337 1.33715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.86252e-12 6.58789e-13 -5.62217e-12 ] [ 1.37481e-10 1.15024e-10 1.36711e-10 ] [ 8.58543e-12 2.81471e-10 2.72056e-10 ] [ 1.52563e-10 4.03682e-10 4.13778e-10 ] [ 2.84739e-10 -2.39071e-11 2.58831e-10 ] [ 4.11503e-10 1.39706e-10 3.91123e-10 ] [ 2.74645e-10 2.72703e-10 -4.786870000000001e-12 ] [ 4.08136e-10 4.16337e-10 1.33715e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9346659999999998 2.9137245999999997 -1.829805499999999 ] [ 1.7438972999999998 2.9300556999999996 0.8522781999999997 ] [ 0.28035579999999993 0.26717899999999994 -3.0864692999999987 ] [ 0.25610019999999994 -1.6404707999999997 -1.4312451999999993 ] [ -22.512692599999998 23.734128899999998 25.23154529999999 ] [ -0.8044074999999999 -3.6090678999999994 1.7327399999999993 ] [ 0.5600933999999999 -0.6503640999999999 2.0667698999999993 ] [ 22.411319499999998 -23.945185499999997 -23.535813399999988 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.099676659794243e-09 4.668301472030995e-09 -2.931671616864685e-09 ] [ 2.794031506155688e-09 4.694466778858513e-09 1.365500217707578e-09 ] [ 4.49179511966377e-10 4.280679508954858e-10 -4.945068994018334e-09 ] [ 4.103177564027267e-10 -2.628323984519287e-09 -2.293107616964655e-09 ] [ -3.606931005214469e-08 3.802626675192412e-08 4.04253923193725e-08 ] [ -1.288802900714355e-09 -5.782364259899447e-09 2.776155540797159e-09 ] [ 8.973685583376152e-10 -1.041998164612439e-09 3.311330441634515e-09 ] [ 3.590689244000856e-08 -3.83644167048956e-08 -3.770853029166408e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -29.869932 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.785690710956888e-18 } }